2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride

C17H24ClNO — CID 141237410

IUPAC2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride
SMILESCCCCc1ccc(C2CCN(CC(=O)Cl)CC2)cc1
InChIInChI=1S/C17H24ClNO/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-19(12-10-16)13-17(18)20/h5-8,16H,2-4,9-13H2,1H3
InChIKeyZAQTYZJLGMLZMU-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.97
Rot. Bonds6

About 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride

2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride (PubChem CID 141237410) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride.

Molecular Properties

Compound Name2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride
PubChem CID141237410
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride
SMILESCCCCc1ccc(C2CCN(CC(=O)Cl)CC2)cc1
InChIInChI=1S/C17H24ClNO/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-19(12-10-16)13-17(18)20/h5-8,16H,2-4,9-13H2,1H3
InChIKeyZAQTYZJLGMLZMU-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-pentylphenyl)cyclohexyl]benzoyl chloride
CID 21318438
3-(4-butylphenyl)pyrrolidin-1-amine
CID 121406850
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
fluorosulfanyl 4-(4-butylphenyl)cyclohexane-1-carboxylate;pentahydrofluoride
CID 173376010
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
5-(4-butylphenyl)pyrazolidine-3-carboxylic acid
CID 122363010
2-(4-butylphenyl)azetidine
CID 55273387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride?
The IUPAC name of 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride (CID 141237410) is 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride.
What is the SMILES notation for 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride?
The canonical SMILES for 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride is CCCCc1ccc(C2CCN(CC(=O)Cl)CC2)cc1.
What is the InChIKey of 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride?
The InChIKey is ZAQTYZJLGMLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-19(12-10-16)13-17(18)20/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride?
2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride has a molecular weight of 293.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylphenyl)piperidin-1-yl]acetyl chloride is sourced from PubChem (CID 141237410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).