1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine

C16H26N2O2 — CID 120781581

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)(C)C2)cc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-16(2)11-18(6-5-15(16)17)10-12-7-13(19-3)9-14(8-12)20-4/h7-9,15H,5-6,10-11,17H2,1-4H3
InChIKeyCBZHOGBQDKGIIY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds4

About 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781581) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120781581
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)(C)C2)cc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-16(2)11-18(6-5-15(16)17)10-12-7-13(19-3)9-14(8-12)20-4/h7-9,15H,5-6,10-11,17H2,1-4H3
InChIKeyCBZHOGBQDKGIIY-UHFFFAOYSA-N
XLogP2.26
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781571
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781581) is 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine is COc1cc(CN2CCC(N)C(C)(C)C2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is CBZHOGBQDKGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2)11-18(6-5-15(16)17)10-12-7-13(19-3)9-14(8-12)20-4/h7-9,15H,5-6,10-11,17H2,1-4H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).