(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine

C239H383F9N28 — CID 157072549

IUPAC(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine
SMILESCC(C)(C)N1CCCC[C@@H]1c1ccccc1.CC(C)(C)N1CCCC[C@@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccccc1.CC(C)(C)N1CCCC[C@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccnnc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@H]1c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCN(C(C)(C)C)[C@@H](c2ccccc2)C1.CC1(C)CCN(C(C)(C)C)[C@H](c2ccccc2)C1.C[C@@H]1CCN[C@H](c2ccccc2)C1.C[C@H]1CCN[C@@H](c2ccccc2)C1.Cn1nccc1[C@@H]1CCCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCCN1C(C)(C)C.FC(F)(F)[C@@H]1CCN[C@H](c2ccccc2)C1.c1cc([C@H]2CCCCN2)cnn1.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/2C17H27N.2C16H22F3N.2C15H23N.2C14H23N3.2C13H23N3.C13H21N3.C12H14F3N.2C12H17N.C11H15N.C9H13N3.5C4H10/c2*1-16(2,3)18-12-11-17(4,5)13-15(18)14-9-7-6-8-10-14;2*1-15(2,3)20-10-9-13(16(17,18)19)11-14(20)12-7-5-4-6-8-12;2*1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13;2*1-14(2,3)17-9-5-4-6-12(17)11-7-8-16-13(15)10-11;2*1-13(2,3)16-10-6-5-7-12(16)11-8-9-14-15(11)4;1-13(2,3)16-9-5-4-6-12(16)11-7-8-14-15-10-11;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-9(3-1)8-4-6-11-12-7-8;5*1-4(2)3/h2*6-10,15H,11-13H2,1-5H3;2*4-8,13-14H,9-11H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;2*7-8,10,12H,4-6,9H2,1-3H3,(H2,15,16);2*8-9,12H,5-7,10H2,1-4H3;7-8,10,12H,4-6,9H2,1-3H3;1-5,10-11,16H,6-8H2;2*2-6,10,12-13H,7-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;4,6-7,9-10H,1-3,5H2;5*4H,1-3H3/t2*15-;13-,14+;13-,14-;2*14-;5*12-;10-,11+;2*10-,12+;;9-;;;;;/m10001010100110.1...../s1
InChIKeyACPFMJLZXFIYRN-UOAPLPBSSA-N
MW3819.87 g/mol
LogP62.08
Rot. Bonds16

About (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine

(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine (PubChem CID 157072549) has the molecular formula C239H383F9N28 and a molecular weight of 3819.87 g/mol. Its IUPAC name is (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine.

Molecular Properties

Compound Name(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine
PubChem CID157072549
Molecular FormulaC239H383F9N28
Molecular Weight3819.87 g/mol
Exact Mass3817.07
IUPAC Name(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine
SMILESCC(C)(C)N1CCCC[C@@H]1c1ccccc1.CC(C)(C)N1CCCC[C@@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccccc1.CC(C)(C)N1CCCC[C@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccnnc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@H]1c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCN(C(C)(C)C)[C@@H](c2ccccc2)C1.CC1(C)CCN(C(C)(C)C)[C@H](c2ccccc2)C1.C[C@@H]1CCN[C@H](c2ccccc2)C1.C[C@H]1CCN[C@@H](c2ccccc2)C1.Cn1nccc1[C@@H]1CCCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCCN1C(C)(C)C.FC(F)(F)[C@@H]1CCN[C@H](c2ccccc2)C1.c1cc([C@H]2CCCCN2)cnn1.c1ccc(C2CCCCN2)cc1
InChIInChI=1S/2C17H27N.2C16H22F3N.2C15H23N.2C14H23N3.2C13H23N3.C13H21N3.C12H14F3N.2C12H17N.C11H15N.C9H13N3.5C4H10/c2*1-16(2,3)18-12-11-17(4,5)13-15(18)14-9-7-6-8-10-14;2*1-15(2,3)20-10-9-13(16(17,18)19)11-14(20)12-7-5-4-6-8-12;2*1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13;2*1-14(2,3)17-9-5-4-6-12(17)11-7-8-16-13(15)10-11;2*1-13(2,3)16-10-6-5-7-12(16)11-8-9-14-15(11)4;1-13(2,3)16-9-5-4-6-12(16)11-7-8-14-15-10-11;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-9(3-1)8-4-6-11-12-7-8;5*1-4(2)3/h2*6-10,15H,11-13H2,1-5H3;2*4-8,13-14H,9-11H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;2*7-8,10,12H,4-6,9H2,1-3H3,(H2,15,16);2*8-9,12H,5-7,10H2,1-4H3;7-8,10,12H,4-6,9H2,1-3H3;1-5,10-11,16H,6-8H2;2*2-6,10,12-13H,7-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;4,6-7,9-10H,1-3,5H2;5*4H,1-3H3/t2*15-;13-,14+;13-,14-;2*14-;5*12-;10-,11+;2*10-,12+;;9-;;;;;/m10001010100110.1...../s1
InChIKeyACPFMJLZXFIYRN-UOAPLPBSSA-N
XLogP62.08
TPSA260.81 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003819.87
LogP ≤ 562.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine with MolForge

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Launch Full Analysis

Related Compounds

US10954216, Example 150
CID 146243291
3-[3-Fluoro-4-(pyridin-4-ylmethylamino)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[4,3-c]pyridin-4-amine
CID 20817273
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 57999615
5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 68972898
5-fluoro-N-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 117727255
N-[[5,5-difluoro-2-[2-methyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]pyrazol-2-ium-1-yl]piperidin-3-yl]methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 123326519
4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[5-[[4-[4-[(4-methylpyridin-2-yl)amino]-6-pyrrolidin-3-ylpyrimidin-2-yl]pyrazol-1-yl]methyl]-4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidine-4-carbonitrile
CID 123409979
2-(3,3-difluoropyrrolidin-1-yl)-N-[6-[[1-[4-(1-methylpiperidin-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-2-yl]methyl]-4-propan-2-yl-2-pyridinyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 123719409
N-methyl-N-[[6-[1-methyl-5-[4-[4-[methyl-[[5-(trifluoromethyl)pyrimidin-4-yl]methyl]amino]piperidin-1-yl]phthalazin-1-yl]pyrazol-3-yl]-4-(trifluoromethyl)pyridazin-3-yl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 123724705
2-[3,3-difluoro-5-[3-[2-piperidin-1-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]piperidin-1-yl]-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 123836936
N-[1-[2-ethenyl-1-[4-piperidin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-2-yl]pyrrolidin-3-yl]-4-methylpyridin-1-ium-2-yl]-2-(1-methylpyrazol-4-yl)-6-piperidin-4-ylpyrimidin-4-amine
CID 123880165
3-[4-[6-[[4-(1,1-difluoroethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-1H-pyrazol-2-ium-2-yl]-N-[4-(difluoromethyl)-2-pyridinyl]-4-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 123935098

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine?
The IUPAC name of (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine (CID 157072549) is (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine.
What is the SMILES notation for (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine?
The canonical SMILES for (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine is CC(C)(C)N1CCCC[C@@H]1c1ccccc1.CC(C)(C)N1CCCC[C@@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccccc1.CC(C)(C)N1CCCC[C@H]1c1ccnc(N)c1.CC(C)(C)N1CCCC[C@H]1c1ccnnc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccccc1.CC(C)(C)N1CC[C@H](C(F)(F)F)C[C@H]1c1ccccc1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(C)CCN(C(C)(C)C)[C@@H](c2ccccc2)C1.CC1(C)CCN(C(C)(C)C)[C@H](c2ccccc2)C1.C[C@@H]1CCN[C@H](c2ccccc2)C1.C[C@H]1CCN[C@@H](c2ccccc2)C1.Cn1nccc1[C@@H]1CCCCN1C(C)(C)C.Cn1nccc1[C@H]1CCCCN1C(C)(C)C.FC(F)(F)[C@@H]1CCN[C@H](c2ccccc2)C1.c1cc([C@H]2CCCCN2)cnn1.c1ccc(C2CCCCN2)cc1.
What is the InChIKey of (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine?
The InChIKey is ACPFMJLZXFIYRN-UOAPLPBSSA-N. The full InChI is InChI=1S/2C17H27N.2C16H22F3N.2C15H23N.2C14H23N3.2C13H23N3.C13H21N3.C12H14F3N.2C12H17N.C11H15N.C9H13N3.5C4H10/c2*1-16(2,3)18-12-11-17(4,5)13-15(18)14-9-7-6-8-10-14;2*1-15(2,3)20-10-9-13(16(17,18)19)11-14(20)12-7-5-4-6-8-12;2*1-15(2,3)16-12-8-7-11-14(16)13-9-5-4-6-10-13;2*1-14(2,3)17-9-5-4-6-12(17)11-7-8-16-13(15)10-11;2*1-13(2,3)16-10-6-5-7-12(16)11-8-9-14-15(11)4;1-13(2,3)16-9-5-4-6-12(16)11-7-8-14-15-10-11;13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;2*1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-9(3-1)8-4-6-11-12-7-8;5*1-4(2)3/h2*6-10,15H,11-13H2,1-5H3;2*4-8,13-14H,9-11H2,1-3H3;2*4-6,9-10,14H,7-8,11-12H2,1-3H3;2*7-8,10,12H,4-6,9H2,1-3H3,(H2,15,16);2*8-9,12H,5-7,10H2,1-4H3;7-8,10,12H,4-6,9H2,1-3H3;1-5,10-11,16H,6-8H2;2*2-6,10,12-13H,7-9H2,1H3;1-3,6-7,11-12H,4-5,8-9H2;4,6-7,9-10H,1-3,5H2;5*4H,1-3H3/t2*15-;13-,14+;13-,14-;2*14-;5*12-;10-,11+;2*10-,12+;;9-;;;;;/m10001010100110.1...../s1.
What are the key properties of (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine?
(2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine has a molecular weight of 3819.87 g/mol, XLogP of 62.08, 16 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-4,4-dimethyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-(2-methylpyrazol-3-yl)piperidine;(2R)-1-tert-butyl-2-phenylpiperidine;(2S)-1-tert-butyl-2-phenylpiperidine;(2S,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;(2R,4S)-1-tert-butyl-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridazine;4-[(2R)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;4-[(2S)-1-tert-butylpiperidin-2-yl]pyridin-2-amine;(2S,4R)-4-methyl-2-phenylpiperidine;(2R,4S)-4-methyl-2-phenylpiperidine;pentakis(2-methylpropane);2-phenylpiperidine;(2S,4R)-2-phenyl-4-(trifluoromethyl)piperidine;4-[(2R)-piperidin-2-yl]pyridazine is sourced from PubChem (CID 157072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).