[1-(4-chlorobenzoyl)piperidin-4-yl]azanium

C12H16ClN2O+ — CID 7183143

IUPAC[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
SMILES[NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2/p+1
InChIKeyIHRXFIZAKNEYIT-UHFFFAOYSA-O
MW239.73 g/mol
LogP1.19
Rot. Bonds1

About [1-(4-chlorobenzoyl)piperidin-4-yl]azanium

[1-(4-chlorobenzoyl)piperidin-4-yl]azanium (PubChem CID 7183143) has the molecular formula C12H16ClN2O+ and a molecular weight of 239.73 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-4-yl]azanium.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
PubChem CID7183143
Molecular FormulaC12H16ClN2O+
Molecular Weight239.73 g/mol
Exact Mass239.09
IUPAC Name[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
SMILES[NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2/p+1
InChIKeyIHRXFIZAKNEYIT-UHFFFAOYSA-O
XLogP1.19
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]azanium?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-4-yl]azanium (CID 7183143) is [1-(4-chlorobenzoyl)piperidin-4-yl]azanium.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-4-yl]azanium?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-4-yl]azanium is [NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-4-yl]azanium?
The InChIKey is IHRXFIZAKNEYIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15/h1-4,11H,5-8,14H2/p+1.
What are the key properties of [1-(4-chlorobenzoyl)piperidin-4-yl]azanium?
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium has a molecular weight of 239.73 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)piperidin-4-yl]azanium is sourced from PubChem (CID 7183143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).