1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone

C15H20ClNO2 — CID 106836224

IUPAC1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-10,12,18H,5-8H2,1-2H3
InChIKeyIJAMXKGJZPFJFN-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.14
Rot. Bonds3

About 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone

1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone (PubChem CID 106836224) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
PubChem CID106836224
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-10,12,18H,5-8H2,1-2H3
InChIKeyIJAMXKGJZPFJFN-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
CID 106835281
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836240
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928
3-chloro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 112625535
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
1-[3-nitro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanone
CID 103703802
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone (CID 106836224) is 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(C(C)O)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is IJAMXKGJZPFJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-10,12,18H,5-8H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 281.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 106836224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).