(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine

C21H38N2 — CID 178175060

IUPAC(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine
SMILESC=C(C1CCCCC1)N1CCC(CN2CCC(C)[C@H](C)C2)CC1
InChIInChI=1S/C21H38N2/c1-17-9-12-22(15-18(17)2)16-20-10-13-23(14-11-20)19(3)21-7-5-4-6-8-21/h17-18,20-21H,3-16H2,1-2H3/t17?,18-/m1/s1
InChIKeyICEJYPHPHHXCEA-QRWMCTBCSA-N
MW318.55 g/mol
LogP4.77
Rot. Bonds4

About (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine

(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine (PubChem CID 178175060) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine
PubChem CID178175060
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine
SMILESC=C(C1CCCCC1)N1CCC(CN2CCC(C)[C@H](C)C2)CC1
InChIInChI=1S/C21H38N2/c1-17-9-12-22(15-18(17)2)16-20-10-13-23(14-11-20)19(3)21-7-5-4-6-8-21/h17-18,20-21H,3-16H2,1-2H3/t17?,18-/m1/s1
InChIKeyICEJYPHPHHXCEA-QRWMCTBCSA-N
XLogP4.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
CID 114682450
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
(3S,4S)-1-(cyclopropylmethyl)-3-iodo-4-methylpiperidine
CID 138739781
1-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-4-prop-1-en-2-ylpiperazine
CID 170613106
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 45075063

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine?
The IUPAC name of (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine (CID 178175060) is (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine.
What is the SMILES notation for (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine?
The canonical SMILES for (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine is C=C(C1CCCCC1)N1CCC(CN2CCC(C)[C@H](C)C2)CC1.
What is the InChIKey of (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine?
The InChIKey is ICEJYPHPHHXCEA-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H38N2/c1-17-9-12-22(15-18(17)2)16-20-10-13-23(14-11-20)19(3)21-7-5-4-6-8-21/h17-18,20-21H,3-16H2,1-2H3/t17?,18-/m1/s1.
What are the key properties of (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine?
(3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine has a molecular weight of 318.55 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(1-cyclohexylethenyl)piperidin-4-yl]methyl]-3,4-dimethylpiperidine is sourced from PubChem (CID 178175060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).