2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine

C17H34N2O — CID 102967140

IUPAC2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1CN1CCC(C)C(OC)C1
InChIInChI=1S/C17H34N2O/c1-13-7-9-19(12-16(13)20-5)11-14-10-17(2,3)8-6-15(14)18-4/h13-16,18H,6-12H2,1-5H3
InChIKeyMKXLPGZJSMISNM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds4

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

2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 102967140) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
PubChem CID102967140
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1CN1CCC(C)C(OC)C1
InChIInChI=1S/C17H34N2O/c1-13-7-9-19(12-16(13)20-5)11-14-10-17(2,3)8-6-15(14)18-4/h13-16,18H,6-12H2,1-5H3
InChIKeyMKXLPGZJSMISNM-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 103538949
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 102967513
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 102963518
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 103538860
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 102967584
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine (CID 102967140) is 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1CN1CCC(C)C(OC)C1.
What is the InChIKey of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is MKXLPGZJSMISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-7-9-19(12-16(13)20-5)11-14-10-17(2,3)8-6-15(14)18-4/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine?
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 4 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]-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102967140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).