(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine

C19H22ClFN2O — CID 174272241

IUPAC(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine
SMILESCOc1ccc(Cl)cc1C[C@H]1CCCN(N)[C@H]1c1cccc(F)c1
InChIInChI=1S/C19H22ClFN2O/c1-24-18-8-7-16(20)11-15(18)10-13-5-3-9-23(22)19(13)14-4-2-6-17(21)12-14/h2,4,6-8,11-13,19H,3,5,9-10,22H2,1H3/t13-,19-/m1/s1
InChIKeyBXVLJKVMKTVQPF-BFUOFWGJSA-N
MW348.85 g/mol
LogP4.36
Rot. Bonds4

About (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine

(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine (PubChem CID 174272241) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine.

Molecular Properties

Compound Name(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine
PubChem CID174272241
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine
SMILESCOc1ccc(Cl)cc1C[C@H]1CCCN(N)[C@H]1c1cccc(F)c1
InChIInChI=1S/C19H22ClFN2O/c1-24-18-8-7-16(20)11-15(18)10-13-5-3-9-23(22)19(13)14-4-2-6-17(21)12-14/h2,4,6-8,11-13,19H,3,5,9-10,22H2,1H3/t13-,19-/m1/s1
InChIKeyBXVLJKVMKTVQPF-BFUOFWGJSA-N
XLogP4.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-[(2-methoxy-5-methylsulfonylphenyl)methyl]-2-phenylpiperidin-1-amine
CID 70200187
2-[3-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-4-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;dihydrochloride
CID 172722423
(2S,3S)-3-[[2-methoxy-5-(5,5,5-trifluoro-2-methylpent-3-yn-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine
CID 70211297
3-[3-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-4-methoxyphenyl]-3-methylbutan-2-one
CID 150999414
7-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-1-(difluoromethyl)-6-methoxy-3,4-dihydroquinolin-2-one;dihydrochloride
CID 172724889
(2S,3S)-3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine
CID 67585503
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43410931
1-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63459141
(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine
CID 69239676
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
2-[(3-bromo-2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 64908394
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine?
The IUPAC name of (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine (CID 174272241) is (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine.
What is the SMILES notation for (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine?
The canonical SMILES for (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine is COc1ccc(Cl)cc1C[C@H]1CCCN(N)[C@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine?
The InChIKey is BXVLJKVMKTVQPF-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-24-18-8-7-16(20)11-15(18)10-13-5-3-9-23(22)19(13)14-4-2-6-17(21)12-14/h2,4,6-8,11-13,19H,3,5,9-10,22H2,1H3/t13-,19-/m1/s1.
What are the key properties of (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine?
(2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine has a molecular weight of 348.85 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)piperidin-1-amine is sourced from PubChem (CID 174272241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).