[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone

C17H30N2O2 — CID 166854080

IUPAC[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC1CCC(OCC2C(N)CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-12-4-8-14(9-5-12)21-11-16-15(18)3-2-10-19(16)17(20)13-6-7-13/h12-16H,2-11,18H2,1H3
InChIKeyDMJJWZYDZJSEGY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds4

About [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone

[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 166854080) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID166854080
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC1CCC(OCC2C(N)CCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-12-4-8-14(9-5-12)21-11-16-15(18)3-2-10-19(16)17(20)13-6-7-13/h12-16H,2-11,18H2,1H3
InChIKeyDMJJWZYDZJSEGY-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-3-amino-2-[[1-(2-chlorophenyl)piperidin-4-yl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854183
[3-amino-2-[[4-(2,3,6-trifluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854390
[(2R,3S)-3-amino-2-[[4-(2,5-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854238
[(2R,3S)-3-amino-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854133
ethyl 3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 166990443
1-[(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 166854054
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-propylpiperidine-1-carboxamide
CID 166854143
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
1-[(2R,3S)-3-amino-2-[[4-(2,6-dimethylphenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854217
1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]propane-1,2-dione
CID 166854291
(2R,3S)-3-amino-N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidine-1-carboxamide
CID 166990378
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone (CID 166854080) is [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone is CC1CCC(OCC2C(N)CCCN2C(=O)C2CC2)CC1.
What is the InChIKey of [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is DMJJWZYDZJSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12-4-8-14(9-5-12)21-11-16-15(18)3-2-10-19(16)17(20)13-6-7-13/h12-16H,2-11,18H2,1H3.
What are the key properties of [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone?
[3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 294.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[(4-methylcyclohexyl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 166854080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).