[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride

C16H17Cl2N3O — CID 3079102

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H
InChIKeyKFPOHXZGYHHXMQ-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.12
Rot. Bonds2

About [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride

[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride (PubChem CID 3079102) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
PubChem CID3079102
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccnc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H
InChIKeyKFPOHXZGYHHXMQ-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride (CID 3079102) is [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride is Cl.O=C(c1cccnc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
The InChIKey is KFPOHXZGYHHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O.ClH/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13;/h1-7,12H,8-11H2;1H.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride?
[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride has a molecular weight of 338.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 3079102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).