1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

C21H24ClNO2 — CID 93223388

IUPAC1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClNO2/c22-19-9-4-8-18(14-19)16-25-20-10-5-13-23(15-20)21(24)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2/t20-/m0/s1
InChIKeyPPKGFUXAZXOCTD-FQEVSTJZSA-N
MW357.88 g/mol
LogP4.48
Rot. Bonds6

About 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 93223388) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID93223388
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C21H24ClNO2/c22-19-9-4-8-18(14-19)16-25-20-10-5-13-23(15-20)21(24)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2/t20-/m0/s1
InChIKeyPPKGFUXAZXOCTD-FQEVSTJZSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (CID 93223388) is 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC[C@H](OCc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is PPKGFUXAZXOCTD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-19-9-4-8-18(14-19)16-25-20-10-5-13-23(15-20)21(24)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 357.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 93223388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).