(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

C19H19ClFNO2 — CID 93223153

IUPAC(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccccc2F)C1
InChIInChI=1S/C19H19ClFNO2/c20-17-9-3-2-8-16(17)19(23)22-11-5-7-15(12-22)24-13-14-6-1-4-10-18(14)21/h1-4,6,8-10,15H,5,7,11-13H2/t15-/m0/s1
InChIKeyJVIMZWZBTCPFDU-HNNXBMFYSA-N
MW347.82 g/mol
LogP4.30
Rot. Bonds4

About (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone

(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 93223153) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
PubChem CID93223153
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccccc2F)C1
InChIInChI=1S/C19H19ClFNO2/c20-17-9-3-2-8-16(17)19(23)22-11-5-7-15(12-22)24-13-14-6-1-4-10-18(14)21/h1-4,6,8-10,15H,5,7,11-13H2/t15-/m0/s1
InChIKeyJVIMZWZBTCPFDU-HNNXBMFYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone (CID 93223153) is (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccccc2F)C1.
What is the InChIKey of (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is JVIMZWZBTCPFDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-17-9-3-2-8-16(17)19(23)22-11-5-7-15(12-22)24-13-14-6-1-4-10-18(14)21/h1-4,6,8-10,15H,5,7,11-13H2/t15-/m0/s1.
What are the key properties of (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone?
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 347.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 93223153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).