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

C16H26N2O — CID 120775320

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(CCN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2)12-18(11-9-15(16)17)10-8-13-4-6-14(19-3)7-5-13/h4-7,15H,8-12,17H2,1-3H3
InChIKeyPMEFWDXPBVRCFK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds4

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

1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775320) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775320
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(CCN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2)12-18(11-9-15(16)17)10-8-13-4-6-14(19-3)7-5-13/h4-7,15H,8-12,17H2,1-3H3
InChIKeyPMEFWDXPBVRCFK-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
1-[2-(4-methoxyphenyl)propyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781971
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine (CID 120775320) is 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine is COc1ccc(CCN2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is PMEFWDXPBVRCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)12-18(11-9-15(16)17)10-8-13-4-6-14(19-3)7-5-13/h4-7,15H,8-12,17H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine?
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).