N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

C19H23FN2O — CID 22918527

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(CNC2CCCNC2c2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O/c1-23-18-10-9-14(12-16(18)20)13-22-17-8-5-11-21-19(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3
InChIKeyYAXLREOZUSZXBG-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.42
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 22918527) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID22918527
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(CNC2CCCNC2c2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O/c1-23-18-10-9-14(12-16(18)20)13-22-17-8-5-11-21-19(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3
InChIKeyYAXLREOZUSZXBG-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 21477704
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine
CID 57292442

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (CID 22918527) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccc(CNC2CCCNC2c2ccccc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is YAXLREOZUSZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-18-10-9-14(12-16(18)20)13-22-17-8-5-11-21-19(17)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 314.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 22918527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).