1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

C22H30N2O2 — CID 120781947

IUPAC1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)(C)C2)c(-c2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O2/c1-22(2)15-24(11-10-21(22)23)14-17-12-19(25-3)20(26-4)13-18(17)16-8-6-5-7-9-16/h5-9,12-13,21H,10-11,14-15,23H2,1-4H3
InChIKeyKZQVBOOLTYVCHX-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.93
Rot. Bonds5

About 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781947) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120781947
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)(C)C2)c(-c2ccccc2)cc1OC
InChIInChI=1S/C22H30N2O2/c1-22(2)15-24(11-10-21(22)23)14-17-12-19(25-3)20(26-4)13-18(17)16-8-6-5-7-9-16/h5-9,12-13,21H,10-11,14-15,23H2,1-4H3
InChIKeyKZQVBOOLTYVCHX-UHFFFAOYSA-N
XLogP3.93
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
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
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781769
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781919

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781947) is 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is COc1cc(CN2CCC(N)C(C)(C)C2)c(-c2ccccc2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is KZQVBOOLTYVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2)15-24(11-10-21(22)23)14-17-12-19(25-3)20(26-4)13-18(17)16-8-6-5-7-9-16/h5-9,12-13,21H,10-11,14-15,23H2,1-4H3.
What are the key properties of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 354.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).