3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine

C22H30N2O — CID 68684134

IUPAC3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine
SMILESCCCCC1CN(c2ccc(OC)c(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C22H30N2O/c1-3-4-8-18-16-24(14-13-21(18)23)19-11-12-22(25-2)20(15-19)17-9-6-5-7-10-17/h5-7,9-12,15,18,21H,3-4,8,13-14,16,23H2,1-2H3
InChIKeyAVKIJLCUJVRYSR-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.71
Rot. Bonds6

About 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine

3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine (PubChem CID 68684134) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine
PubChem CID68684134
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine
SMILESCCCCC1CN(c2ccc(OC)c(-c3ccccc3)c2)CCC1N
InChIInChI=1S/C22H30N2O/c1-3-4-8-18-16-24(14-13-21(18)23)19-11-12-22(25-2)20(15-19)17-9-6-5-7-10-17/h5-7,9-12,15,18,21H,3-4,8,13-14,16,23H2,1-2H3
InChIKeyAVKIJLCUJVRYSR-UHFFFAOYSA-N
XLogP4.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
CID 68686524
3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride
CID 11551791
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
CID 68687798
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
CID 45255003
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine?
The IUPAC name of 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine (CID 68684134) is 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine.
What is the SMILES notation for 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine?
The canonical SMILES for 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine is CCCCC1CN(c2ccc(OC)c(-c3ccccc3)c2)CCC1N.
What is the InChIKey of 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine?
The InChIKey is AVKIJLCUJVRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-3-4-8-18-16-24(14-13-21(18)23)19-11-12-22(25-2)20(15-19)17-9-6-5-7-10-17/h5-7,9-12,15,18,21H,3-4,8,13-14,16,23H2,1-2H3.
What are the key properties of 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine?
3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine is sourced from PubChem (CID 68684134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).