N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine

C25H29ClN4 — CID 11633155

IUPACN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
SMILESClc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1
InChIInChI=1S/C25H29ClN4/c26-23-9-6-10-24(20-23)30-17-15-29(16-18-30)14-5-4-12-27-25-19-22(11-13-28-25)21-7-2-1-3-8-21/h1-3,6-11,13,19-20H,4-5,12,14-18H2,(H,27,28)
InChIKeyPWJYDHPJSHWGIQ-UHFFFAOYSA-N
MW420.99 g/mol
LogP5.42
Rot. Bonds8

About N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine (PubChem CID 11633155) has the molecular formula C25H29ClN4 and a molecular weight of 420.99 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
PubChem CID11633155
Molecular FormulaC25H29ClN4
Molecular Weight420.99 g/mol
Exact Mass420.21
IUPAC NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
SMILESClc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1
InChIInChI=1S/C25H29ClN4/c26-23-9-6-10-24(20-23)30-17-15-29(16-18-30)14-5-4-12-27-25-19-22(11-13-28-25)21-7-2-1-3-8-21/h1-3,6-11,13,19-20H,4-5,12,14-18H2,(H,27,28)
InChIKeyPWJYDHPJSHWGIQ-UHFFFAOYSA-N
XLogP5.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.99
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11648823
4-(4-methylphenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 71187765
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
CID 162306694
N-[4-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]butyl]-4-(2-methylphenyl)pyridin-2-amine
CID 69245717
4-(furan-2-yl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11612009
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine (CID 11633155) is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine is Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine?
The InChIKey is PWJYDHPJSHWGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4/c26-23-9-6-10-24(20-23)30-17-15-29(16-18-30)14-5-4-12-27-25-19-22(11-13-28-25)21-7-2-1-3-8-21/h1-3,6-11,13,19-20H,4-5,12,14-18H2,(H,27,28).
What are the key properties of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine?
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine has a molecular weight of 420.99 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine is sourced from PubChem (CID 11633155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).