2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C16H32N2O — CID 102967197

IUPAC2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOC1CN(CC2C(C)CC(C)CC2N)CCC1C
InChIInChI=1S/C16H32N2O/c1-11-7-13(3)14(15(17)8-11)9-18-6-5-12(2)16(10-18)19-4/h11-16H,5-10,17H2,1-4H3
InChIKeySZYRZGFXOJLPIF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.35
Rot. Bonds3

About 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine

2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 102967197) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID102967197
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOC1CN(CC2C(C)CC(C)CC2N)CCC1C
InChIInChI=1S/C16H32N2O/c1-11-7-13(3)14(15(17)8-11)9-18-6-5-12(2)16(10-18)19-4/h11-16H,5-10,17H2,1-4H3
InChIKeySZYRZGFXOJLPIF-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-ol
CID 64736403
1-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 64734685
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
3,5-dimethyl-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 113418838
[1-[(2-amino-4,6-dimethylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 64735025
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 102963518
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735456
3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 64737405
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734690
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 102967197) is 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is COC1CN(CC2C(C)CC(C)CC2N)CCC1C.
What is the InChIKey of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is SZYRZGFXOJLPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11-7-13(3)14(15(17)8-11)9-18-6-5-12(2)16(10-18)19-4/h11-16H,5-10,17H2,1-4H3.
What are the key properties of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102967197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).