2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one

C15H29N3O — CID 79121745

IUPAC2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H29N3O/c1-12(15(19)18-10-4-3-5-11-18)17(2)14-8-6-13(16)7-9-14/h12-14H,3-11,16H2,1-2H3
InChIKeyBZLGACZIXMOKRU-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.59
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one

2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 79121745) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID79121745
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H29N3O/c1-12(15(19)18-10-4-3-5-11-18)17(2)14-8-6-13(16)7-9-14/h12-14H,3-11,16H2,1-2H3
InChIKeyBZLGACZIXMOKRU-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclohexan-1-one
CID 79120030
N-(4-aminocyclohexyl)-N-methylpiperidine-1-carboxamide
CID 79154903
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
CID 79152914
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
CID 79121180
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one (CID 79121745) is 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N(C)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BZLGACZIXMOKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(15(19)18-10-4-3-5-11-18)17(2)14-8-6-13(16)7-9-14/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 79121745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).