1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone

C14H26N2O2 — CID 114146739

IUPAC1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC(O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(17)16-8-6-13(7-9-16)15-10-12-2-4-14(18)5-3-12/h12-15,18H,2-10H2,1H3
InChIKeyUHNQJYTZIYEFIB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 114146739) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
PubChem CID114146739
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC2CCC(O)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-11(17)16-8-6-13(7-9-16)15-10-12-2-4-14(18)5-3-12/h12-15,18H,2-10H2,1H3
InChIKeyUHNQJYTZIYEFIB-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxycyclohexyl)methylamino]piperidine-1-carboxamide
CID 106126146
1-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]ethanone
CID 107411452
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylic acid
CID 68917918
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone (CID 114146739) is 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC2CCC(O)CC2)CC1.
What is the InChIKey of 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is UHNQJYTZIYEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(17)16-8-6-13(7-9-16)15-10-12-2-4-14(18)5-3-12/h12-15,18H,2-10H2,1H3.
What are the key properties of 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 114146739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).