N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine

C19H24N2O2 — CID 155758525

IUPACN-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine
SMILESCOc1ccc(NC2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C19H24N2O2/c1-22-18-9-8-16(14-19(18)23-2)20-15-10-12-21(13-11-15)17-6-4-3-5-7-17/h3-9,14-15,20H,10-13H2,1-2H3
InChIKeyUTKMHZIHKWODOL-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine

N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine (PubChem CID 155758525) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine
PubChem CID155758525
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine
SMILESCOc1ccc(NC2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C19H24N2O2/c1-22-18-9-8-16(14-19(18)23-2)20-15-10-12-21(13-11-15)17-6-4-3-5-7-17/h3-9,14-15,20H,10-13H2,1-2H3
InChIKeyUTKMHZIHKWODOL-UHFFFAOYSA-N
XLogP3.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-1-phenylpiperidin-4-amine
CID 103892780
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine (CID 155758525) is N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine is COc1ccc(NC2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine?
The InChIKey is UTKMHZIHKWODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-9-8-16(14-19(18)23-2)20-15-10-12-21(13-11-15)17-6-4-3-5-7-17/h3-9,14-15,20H,10-13H2,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine?
N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine has a molecular weight of 312.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 155758525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).