1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol

C17H28ClNO2 — CID 143607146

IUPAC1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol
SMILESCC.CC(=O)Cc1ccc(Cl)cc1.CN1CCC(O)CC1
InChIInChI=1S/C9H9ClO.C6H13NO.C2H6/c1-7(11)6-8-2-4-9(10)5-3-8;1-7-4-2-6(8)3-5-7;1-2/h2-5H,6H2,1H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyNDJQWKVWMHATSI-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.57
Rot. Bonds2

About 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol

1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol (PubChem CID 143607146) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol
PubChem CID143607146
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol
SMILESCC.CC(=O)Cc1ccc(Cl)cc1.CN1CCC(O)CC1
InChIInChI=1S/C9H9ClO.C6H13NO.C2H6/c1-7(11)6-8-2-4-9(10)5-3-8;1-7-4-2-6(8)3-5-7;1-2/h2-5H,6H2,1H3;6,8H,2-5H2,1H3;1-2H3
InChIKeyNDJQWKVWMHATSI-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
1-[3-bromo-4-(1-methylpiperidin-4-yl)phenyl]propan-2-one
CID 117495014
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
1-chloro-4-(2-fluorophenyl)benzene;1-methylpiperidin-4-ol
CID 23323776
2-(4-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248357
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248358
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine
CID 126763120

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol?
The IUPAC name of 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol (CID 143607146) is 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol is CC.CC(=O)Cc1ccc(Cl)cc1.CN1CCC(O)CC1.
What is the InChIKey of 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol?
The InChIKey is NDJQWKVWMHATSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO.C6H13NO.C2H6/c1-7(11)6-8-2-4-9(10)5-3-8;1-7-4-2-6(8)3-5-7;1-2/h2-5H,6H2,1H3;6,8H,2-5H2,1H3;1-2H3.
What are the key properties of 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol?
1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol has a molecular weight of 313.87 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)propan-2-one;ethane;1-methylpiperidin-4-ol is sourced from PubChem (CID 143607146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).