[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone

C19H18ClF2NO — CID 42346116

IUPAC[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2/t14-/m0/s1
InChIKeyVDAPBQZURYOZHE-AWEZNQCLSA-N
MW349.81 g/mol
LogP4.71
Rot. Bonds4

About [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone

[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone (PubChem CID 42346116) has the molecular formula C19H18ClF2NO and a molecular weight of 349.81 g/mol. Its IUPAC name is [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
PubChem CID42346116
Molecular FormulaC19H18ClF2NO
Molecular Weight349.81 g/mol
Exact Mass349.10
IUPAC Name[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2/t14-/m0/s1
InChIKeyVDAPBQZURYOZHE-AWEZNQCLSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 25453186
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
ethyl 4-[1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920591
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone (CID 42346116) is [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is VDAPBQZURYOZHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClF2NO/c20-15-5-1-3-13(9-15)11-23-8-2-4-14(12-23)19(24)17-10-16(21)6-7-18(17)22/h1,3,5-7,9-10,14H,2,4,8,11-12H2/t14-/m0/s1.
What are the key properties of [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone?
[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 349.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 42346116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).