1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine

C22H22ClN3 — CID 56661988

IUPAC1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESClc1ccc(C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22ClN3/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2
InChIKeyNTKIYDPPTOXAHC-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.65
Rot. Bonds4

About 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine

1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine (PubChem CID 56661988) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
PubChem CID56661988
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
SMILESClc1ccc(C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22ClN3/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2
InChIKeyNTKIYDPPTOXAHC-UHFFFAOYSA-N
XLogP4.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine (CID 56661988) is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine is Clc1ccc(C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
The InChIKey is NTKIYDPPTOXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c23-20-10-8-18(9-11-20)22(19-5-4-12-24-17-19)26-15-13-25(14-16-26)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2.
What are the key properties of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine?
1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine has a molecular weight of 363.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 56661988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).