[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone

C15H28N2O — CID 106828121

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1CCN(C(=O)C2(C)CCCCC2)CC1CN
InChIInChI=1S/C15H28N2O/c1-12-6-9-17(11-13(12)10-16)14(18)15(2)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyUAZFGFMXGBXIJH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 106828121) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID106828121
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1CCN(C(=O)C2(C)CCCCC2)CC1CN
InChIInChI=1S/C15H28N2O/c1-12-6-9-17(11-13(12)10-16)14(18)15(2)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyUAZFGFMXGBXIJH-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
CID 119592406
3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 114960745
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
CID 82701030
ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone (CID 106828121) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone is CC1CCN(C(=O)C2(C)CCCCC2)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is UAZFGFMXGBXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-6-9-17(11-13(12)10-16)14(18)15(2)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106828121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).