(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane

C164H320F12N12 — CID 158444693

IUPAC(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane
SMILESCC(C)[C@@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@@H]1C[C@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@H](C)CN(CC2CC2)C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@@H]1CCN(CC2CC2)C[C@@H]1C.C[C@@H]1CCN(CC2CC2)C[C@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F.C[C@H]1CCN(CC2CC2)C[C@@H]1C.C[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F
InChIInChI=1S/4C13H25N.4C11H18F3N.4C11H21N.8C3H8/c4*1-10(2)13-6-11(3)7-14(9-13)8-12-4-5-12;4*1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14;4*1-9-5-6-12(7-10(9)2)8-11-3-4-11;8*1-3-2/h4*10-13H,4-9H2,1-3H3;4*8-10H,2-7H2,1H3;4*9-11H,3-8H2,1-2H3;8*3H2,1-2H3/t2*11-,13+;2*11-,13-;2*8-,10+;2*8-,10-;2*9-,10+;2*9-,10-;;;;;;;;/m101010101010......../s1
InChIKeyHDGBEUXNAYBOSS-JNTXYHLUSA-N
MW2688.42 g/mol
LogP44.54
Rot. Bonds28

About (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane

(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane (PubChem CID 158444693) has the molecular formula C164H320F12N12 and a molecular weight of 2688.42 g/mol. Its IUPAC name is (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane.

Molecular Properties

Compound Name(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane
PubChem CID158444693
Molecular FormulaC164H320F12N12
Molecular Weight2688.42 g/mol
Exact Mass2686.52
IUPAC Name(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane
SMILESCC(C)[C@@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@@H]1C[C@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@H](C)CN(CC2CC2)C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@@H]1CCN(CC2CC2)C[C@@H]1C.C[C@@H]1CCN(CC2CC2)C[C@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F.C[C@H]1CCN(CC2CC2)C[C@@H]1C.C[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F
InChIInChI=1S/4C13H25N.4C11H18F3N.4C11H21N.8C3H8/c4*1-10(2)13-6-11(3)7-14(9-13)8-12-4-5-12;4*1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14;4*1-9-5-6-12(7-10(9)2)8-11-3-4-11;8*1-3-2/h4*10-13H,4-9H2,1-3H3;4*8-10H,2-7H2,1H3;4*9-11H,3-8H2,1-2H3;8*3H2,1-2H3/t2*11-,13+;2*11-,13-;2*8-,10+;2*8-,10-;2*9-,10+;2*9-,10-;;;;;;;;/m101010101010......../s1
InChIKeyHDGBEUXNAYBOSS-JNTXYHLUSA-N
XLogP44.54
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.42
LogP ≤ 544.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-3-tert-butyl-1-(cyclopropylmethyl)-4-methylpiperidine;(3R,4R)-3-tert-butyl-1-(cyclopropylmethyl)-4-methylpiperidine;(3R,4R)-3-tert-butyl-1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;(3S,4R)-3-tert-butyl-1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;(3R,4S)-3-tert-butyl-1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;(3S,4S)-3-tert-butyl-1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;(3S,4S)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine;(3R,4S)-1-cyclobutyl-3-propan-2-yl-4-propylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine
CID 159656562
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2-fluoroethyl)-4-propan-2-ylpiperidine;1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159741560
CID 160173264
CID 160173264
(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;ethane
CID 160263181
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;bis(1-(2-fluoro-2-methylpropyl)-4-propan-2-ylpiperidine);4-propan-2-yl-1-propylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 160337939
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperazine;1,2-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine)
CID 164947690
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 165014394
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);ethane;2-fluoro-1,4-di(propan-2-yl)piperidine
CID 167660912
4-tert-butyl-3-fluoro-1-methylpiperidine;ethane;(3S,4S)-3-fluoro-1,4-dimethylpiperidine;(3R,4S)-3-fluoro-1,4-dimethylpiperidine;(3S,4R)-3-fluoro-1,4-dimethylpiperidine;(3R,4R)-3-fluoro-1,4-dimethylpiperidine
CID 159881181

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane?
The IUPAC name of (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane (CID 158444693) is (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane.
What is the SMILES notation for (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane?
The canonical SMILES for (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane is CC(C)[C@@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@@H]1C[C@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@@H](C)CN(CC2CC2)C1.CC(C)[C@H]1C[C@H](C)CN(CC2CC2)C1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@@H]1CCN(CC2CC2)C[C@@H]1C.C[C@@H]1CCN(CC2CC2)C[C@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C.C[C@@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F.C[C@H]1CCN(CC2CC2)C[C@@H]1C.C[C@H]1CN(CC2CC2)CC[C@@H]1C(F)(F)F.C[C@H]1CN(CC2CC2)CC[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane?
The InChIKey is HDGBEUXNAYBOSS-JNTXYHLUSA-N. The full InChI is InChI=1S/4C13H25N.4C11H18F3N.4C11H21N.8C3H8/c4*1-10(2)13-6-11(3)7-14(9-13)8-12-4-5-12;4*1-8-6-15(7-9-2-3-9)5-4-10(8)11(12,13)14;4*1-9-5-6-12(7-10(9)2)8-11-3-4-11;8*1-3-2/h4*10-13H,4-9H2,1-3H3;4*8-10H,2-7H2,1H3;4*9-11H,3-8H2,1-2H3;8*3H2,1-2H3/t2*11-,13+;2*11-,13-;2*8-,10+;2*8-,10-;2*9-,10+;2*9-,10-;;;;;;;;/m101010101010......../s1.
What are the key properties of (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane?
(3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane has a molecular weight of 2688.42 g/mol, XLogP of 44.54, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3S,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4S)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,4R)-1-(cyclopropylmethyl)-3,4-dimethylpiperidine;(3R,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3R,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,5S)-1-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpiperidine;(3S,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3S,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4S)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;(3R,4R)-1-(cyclopropylmethyl)-3-methyl-4-(trifluoromethyl)piperidine;propane is sourced from PubChem (CID 158444693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).