[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

C17H31ClN2O — CID 119308483

IUPAC[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C17H30N2O.ClH/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14;/h14-16,18H,1-13H2;1H
InChIKeyZPYNMPUMJKIYHH-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.37
Rot. Bonds3

About [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride

[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119308483) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
PubChem CID119308483
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C17H30N2O.ClH/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14;/h14-16,18H,1-13H2;1H
InChIKeyZPYNMPUMJKIYHH-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride (CID 119308483) is [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCCNC1)N1CCCC1CC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is ZPYNMPUMJKIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14;/h14-16,18H,1-13H2;1H.
What are the key properties of [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride?
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119308483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).