[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone

C21H22ClNO2 — CID 121230854

IUPAC[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)C1CC1
InChIInChI=1S/C21H22ClNO2/c22-18-7-5-17(6-8-18)21(25)11-13-23(14-12-21)19-9-3-16(4-10-19)20(24)15-1-2-15/h3-10,15,25H,1-2,11-14H2
InChIKeyOUDKJAWJKFIFIW-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.42
Rot. Bonds4

About [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone

[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone (PubChem CID 121230854) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone
PubChem CID121230854
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone
SMILESO=C(c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)C1CC1
InChIInChI=1S/C21H22ClNO2/c22-18-7-5-17(6-8-18)21(25)11-13-23(14-12-21)19-9-3-16(4-10-19)20(24)15-1-2-15/h3-10,15,25H,1-2,11-14H2
InChIKeyOUDKJAWJKFIFIW-UHFFFAOYSA-N
XLogP4.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone (CID 121230854) is [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone is O=C(c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)C1CC1.
What is the InChIKey of [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone?
The InChIKey is OUDKJAWJKFIFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c22-18-7-5-17(6-8-18)21(25)11-13-23(14-12-21)19-9-3-16(4-10-19)20(24)15-1-2-15/h3-10,15,25H,1-2,11-14H2.
What are the key properties of [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone?
[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone has a molecular weight of 355.87 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone is sourced from PubChem (CID 121230854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).