[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

C16H31ClN2O — CID 119345602

IUPAC[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCC(C)CCC1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-13(2)3-4-14-7-11-18(12-8-14)16(19)15-5-9-17-10-6-15;/h13-15,17H,3-12H2,1-2H3;1H
InChIKeyZFPVIQCNXSMFFC-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.08
Rot. Bonds4

About [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride

[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119345602) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119345602
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCC(C)CCC1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-13(2)3-4-14-7-11-18(12-8-14)16(19)15-5-9-17-10-6-15;/h13-15,17H,3-12H2,1-2H3;1H
InChIKeyZFPVIQCNXSMFFC-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
CID 119300129
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 122569705
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
CID 162322945

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119345602) is [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is CC(C)CCC1CCN(C(=O)C2CCNCC2)CC1.Cl.
What is the InChIKey of [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is ZFPVIQCNXSMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-13(2)3-4-14-7-11-18(12-8-14)16(19)15-5-9-17-10-6-15;/h13-15,17H,3-12H2,1-2H3;1H.
What are the key properties of [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride?
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119345602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).