1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine

C17H28N2O — CID 120847195

IUPAC1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1cc(OC)ccc1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-5-13-10-15(20-4)7-6-14(13)11-19-9-8-16(18)17(2,3)12-19/h6-7,10,16H,5,8-9,11-12,18H2,1-4H3
InChIKeyGWBUZSJWIRKUOD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120847195) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120847195
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1cc(OC)ccc1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H28N2O/c1-5-13-10-15(20-4)7-6-14(13)11-19-9-8-16(18)17(2,3)12-19/h6-7,10,16H,5,8-9,11-12,18H2,1-4H3
InChIKeyGWBUZSJWIRKUOD-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
4-[(2-ethyl-4-methoxyphenyl)methyl]-6,6-difluoro-1,4-oxazepane
CID 126813428
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774978
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120847195) is 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine is CCc1cc(OC)ccc1CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is GWBUZSJWIRKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-13-10-15(20-4)7-6-14(13)11-19-9-8-16(18)17(2,3)12-19/h6-7,10,16H,5,8-9,11-12,18H2,1-4H3.
What are the key properties of 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120847195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).