1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one

C15H20ClNO — CID 82161000

IUPAC1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
SMILESCCC(=O)C(Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H20ClNO/c1-2-14(18)15(16)12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9,15H,2-5,10-11H2,1H3
InChIKeyHVYVDSXIYSUMOA-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.94
Rot. Bonds4

About 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one

1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one (PubChem CID 82161000) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one.

Molecular Properties

Compound Name1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
PubChem CID82161000
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one
SMILESCCC(=O)C(Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H20ClNO/c1-2-14(18)15(16)12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9,15H,2-5,10-11H2,1H3
InChIKeyHVYVDSXIYSUMOA-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19599631
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
CID 62224274
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one?
The IUPAC name of 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one (CID 82161000) is 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one.
What is the SMILES notation for 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one?
The canonical SMILES for 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one is CCC(=O)C(Cl)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one?
The InChIKey is HVYVDSXIYSUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-14(18)15(16)12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9,15H,2-5,10-11H2,1H3.
What are the key properties of 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one?
1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one has a molecular weight of 265.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(4-piperidin-1-ylphenyl)butan-2-one is sourced from PubChem (CID 82161000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).