N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

C19H22ClFN2O — CID 21477704

IUPACN-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1c(F)cc(Cl)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C19H22ClFN2O/c1-24-19-14(10-15(20)11-16(19)21)12-23-17-8-5-9-22-18(17)13-6-3-2-4-7-13/h2-4,6-7,10-11,17-18,22-23H,5,8-9,12H2,1H3
InChIKeyZMJTVATWWMHOCR-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.07
Rot. Bonds5

About N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 21477704) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID21477704
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC NameN-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1c(F)cc(Cl)cc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C19H22ClFN2O/c1-24-19-14(10-15(20)11-16(19)21)12-23-17-8-5-9-22-18(17)13-6-3-2-4-7-13/h2-4,6-7,10-11,17-18,22-23H,5,8-9,12H2,1H3
InChIKeyZMJTVATWWMHOCR-UHFFFAOYSA-N
XLogP4.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
CID 18533782
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 19696673

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (CID 21477704) is N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is COc1c(F)cc(Cl)cc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is ZMJTVATWWMHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-24-19-14(10-15(20)11-16(19)21)12-23-17-8-5-9-22-18(17)13-6-3-2-4-7-13/h2-4,6-7,10-11,17-18,22-23H,5,8-9,12H2,1H3.
What are the key properties of N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 348.85 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 21477704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).