[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone

C16H30N2O — CID 165440986

IUPAC[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone
SMILESCC(C)CC1CCN(C(=O)C2CCCCC2)CC1N
InChIInChI=1S/C16H30N2O/c1-12(2)10-14-8-9-18(11-15(14)17)16(19)13-6-4-3-5-7-13/h12-15H,3-11,17H2,1-2H3
InChIKeyRVIFBNDQOBUOFI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds3

About [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone

[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone (PubChem CID 165440986) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone
PubChem CID165440986
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone
SMILESCC(C)CC1CCN(C(=O)C2CCCCC2)CC1N
InChIInChI=1S/C16H30N2O/c1-12(2)10-14-8-9-18(11-15(14)17)16(19)13-6-4-3-5-7-13/h12-15H,3-11,17H2,1-2H3
InChIKeyRVIFBNDQOBUOFI-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclopentylmethanone
CID 165440990
(3-amino-4-ethylpiperidin-1-yl)-cyclopentylmethanone
CID 165439908
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
1-[3-amino-4-(2-methylpropyl)piperidin-1-yl]-2-chloropropan-1-one
CID 165440977
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
1-[3-amino-4-(2-methylpropyl)piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 165440983
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone (CID 165440986) is [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone is CC(C)CC1CCN(C(=O)C2CCCCC2)CC1N.
What is the InChIKey of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is RVIFBNDQOBUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)10-14-8-9-18(11-15(14)17)16(19)13-6-4-3-5-7-13/h12-15H,3-11,17H2,1-2H3.
What are the key properties of [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone?
[3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(2-methylpropyl)piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 165440986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).