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

C14H26N2O — CID 62775816

IUPAC(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C14H26N2O/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)13(15)9-12/h10-13H,3-9,15H2,1-2H3
InChIKeyCJWLKFSXGWLBEU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds1

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

(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 62775816) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID62775816
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(C)C(N)C2)CC1
InChIInChI=1S/C14H26N2O/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)13(15)9-12/h10-13H,3-9,15H2,1-2H3
InChIKeyCJWLKFSXGWLBEU-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62782120
(3-amino-4-methylcyclohexyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674274
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
(3-amino-4-methylcyclohexyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 55218094
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62780960
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
(3-aminocyclopentyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
CID 119779813
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62781610

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone (CID 62775816) is (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCC(C)C(N)C2)CC1.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CJWLKFSXGWLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-5-7-16(8-6-10)14(17)12-4-3-11(2)13(15)9-12/h10-13H,3-9,15H2,1-2H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone?
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62775816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).