1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone

C153H240N18O4 — CID 157136309

IUPAC1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone
SMILESCC(C)C1CC2(CC(C(=O)N3CCCCC3)C2)C1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)cn1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)c1ccc(CN2CCNC(C)(C)C2)cc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC1CN(Cc2ccc(C(C)C)cc2)CC(C)N1.CCC1CN(C(=O)c2ccc(C(C)C)cc2)CCN1
InChIInChI=1S/C18H30N2.C16H24N2O.2C16H26N2.C16H27NO.C15H21NO.C14H20N2O.3C14H22N2/c1-15(2)17-8-6-16(7-9-17)14-19-10-12-20(13-11-19)18(3,4)5;1-4-15-11-18(10-9-17-15)16(19)14-7-5-13(6-8-14)12(2)3;1-12(2)16-7-5-15(6-8-16)11-18-9-13(3)17-14(4)10-18;1-13(2)15-7-5-14(6-8-15)11-18-10-9-17-16(3,4)12-18;1-12(2)13-8-16(9-13)10-14(11-16)15(18)17-6-4-3-5-7-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-6-7-13(15-10-12)14(17)16-8-4-3-5-9-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-7-6-13(10-15-14)11-16-8-4-3-5-9-16/h6-9,15H,10-14H2,1-5H3;5-8,12,15,17H,4,9-11H2,1-3H3;5-8,12-14,17H,9-11H2,1-4H3;5-8,13,17H,9-12H2,1-4H3;12-14H,3-11H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3*6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyAJQXDGRSRLVNED-UHFFFAOYSA-N
MW2395.72 g/mol
LogP31.65
Rot. Bonds27

About 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone

1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone (PubChem CID 157136309) has the molecular formula C153H240N18O4 and a molecular weight of 2395.72 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone
PubChem CID157136309
Molecular FormulaC153H240N18O4
Molecular Weight2395.72 g/mol
Exact Mass2393.91
IUPAC Name1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone
SMILESCC(C)C1CC2(CC(C(=O)N3CCCCC3)C2)C1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)cn1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)c1ccc(CN2CCNC(C)(C)C2)cc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC1CN(Cc2ccc(C(C)C)cc2)CC(C)N1.CCC1CN(C(=O)c2ccc(C(C)C)cc2)CCN1
InChIInChI=1S/C18H30N2.C16H24N2O.2C16H26N2.C16H27NO.C15H21NO.C14H20N2O.3C14H22N2/c1-15(2)17-8-6-16(7-9-17)14-19-10-12-20(13-11-19)18(3,4)5;1-4-15-11-18(10-9-17-15)16(19)14-7-5-13(6-8-14)12(2)3;1-12(2)16-7-5-15(6-8-16)11-18-9-13(3)17-14(4)10-18;1-13(2)15-7-5-14(6-8-15)11-18-10-9-17-16(3,4)12-18;1-12(2)13-8-16(9-13)10-14(11-16)15(18)17-6-4-3-5-7-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-6-7-13(15-10-12)14(17)16-8-4-3-5-9-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-7-6-13(10-15-14)11-16-8-4-3-5-9-16/h6-9,15H,10-14H2,1-5H3;5-8,12,15,17H,4,9-11H2,1-3H3;5-8,12-14,17H,9-11H2,1-4H3;5-8,13,17H,9-12H2,1-4H3;12-14H,3-11H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3*6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyAJQXDGRSRLVNED-UHFFFAOYSA-N
XLogP31.65
TPSA191.57 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.72
LogP ≤ 531.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone (CID 157136309) is 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone is CC(C)C1CC2(CC(C(=O)N3CCCCC3)C2)C1.CC(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)c1ccc(C(=O)N2CCCCC2)nc1.CC(C)c1ccc(CN2CCCCC2)cn1.CC(C)c1ccc(CN2CCCCC2)nc1.CC(C)c1ccc(CN2CCN(C(C)(C)C)CC2)cc1.CC(C)c1ccc(CN2CCNC(C)(C)C2)cc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC1CN(Cc2ccc(C(C)C)cc2)CC(C)N1.CCC1CN(C(=O)c2ccc(C(C)C)cc2)CCN1.
What is the InChIKey of 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone?
The InChIKey is AJQXDGRSRLVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.C16H24N2O.2C16H26N2.C16H27NO.C15H21NO.C14H20N2O.3C14H22N2/c1-15(2)17-8-6-16(7-9-17)14-19-10-12-20(13-11-19)18(3,4)5;1-4-15-11-18(10-9-17-15)16(19)14-7-5-13(6-8-14)12(2)3;1-12(2)16-7-5-15(6-8-16)11-18-9-13(3)17-14(4)10-18;1-13(2)15-7-5-14(6-8-15)11-18-10-9-17-16(3,4)12-18;1-12(2)13-8-16(9-13)10-14(11-16)15(18)17-6-4-3-5-7-17;1-12(2)13-6-8-14(9-7-13)15(17)16-10-4-3-5-11-16;1-11(2)12-6-7-13(15-10-12)14(17)16-8-4-3-5-9-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)13-6-7-14(15-10-13)11-16-8-4-3-5-9-16;1-12(2)14-7-6-13(10-15-14)11-16-8-4-3-5-9-16/h6-9,15H,10-14H2,1-5H3;5-8,12,15,17H,4,9-11H2,1-3H3;5-8,12-14,17H,9-11H2,1-4H3;5-8,13,17H,9-12H2,1-4H3;12-14H,3-11H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;3*6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone?
1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone has a molecular weight of 2395.72 g/mol, XLogP of 31.65, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine;(3-ethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;piperidin-1-yl-(4-propan-2-ylphenyl)methanone;piperidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;piperidin-1-yl-(6-propan-2-ylspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 157136309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).