(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C14H26N2O2 — CID 102957262

IUPAC(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(C)C(O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-11(2)12(17)9-16/h10-12,17H,3-9,15H2,1-2H3
InChIKeyYZWAXORHLQARLE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.12
Rot. Bonds1

About (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957262) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957262
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CCC(C)C(O)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-11(2)12(17)9-16/h10-12,17H,3-9,15H2,1-2H3
InChIKeyYZWAXORHLQARLE-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 64552763
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465581
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888929
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102957262) is (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCCC(N)(C(=O)N2CCC(C)C(O)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is YZWAXORHLQARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-3-6-14(15,8-10)13(18)16-7-5-11(2)12(17)9-16/h10-12,17H,3-9,15H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).