[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C14H26N2O2 — CID 102957097

IUPAC[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2CN)CC1O
InChIInChI=1S/C14H26N2O2/c1-10-6-7-16(9-13(10)17)14(18)12-5-3-2-4-11(12)8-15/h10-13,17H,2-9,15H2,1H3
InChIKeyULXSJNZKPTVCQP-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.98
Rot. Bonds2

About [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone

[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957097) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957097
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2CN)CC1O
InChIInChI=1S/C14H26N2O2/c1-10-6-7-16(9-13(10)17)14(18)12-5-3-2-4-11(12)8-15/h10-13,17H,2-9,15H2,1H3
InChIKeyULXSJNZKPTVCQP-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217496
[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180772
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
[2-(aminomethyl)cyclohexyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743617
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312
2-[2-(aminomethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855324
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102957097) is [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCCCC2CN)CC1O.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is ULXSJNZKPTVCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-6-7-16(9-13(10)17)14(18)12-5-3-2-4-11(12)8-15/h10-13,17H,2-9,15H2,1H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).