1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine

C42H60ClN9 — CID 158589602

IUPAC1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine
SMILESCc1cccc(N2CCNCC2)c1.Cc1cccc(N2CCNCC2C)c1.Clc1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C12H18N2.C11H16N2.C10H13ClN2.C9H13N3/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h3-5,8,11,13H,6-7,9H2,1-2H3;2-4,9,12H,5-8H2,1H3;1-4,12H,5-8H2;1-4,10H,5-8H2
InChIKeyHUGYWELRTNSZON-UHFFFAOYSA-N
MW726.46 g/mol
LogP5.44
Rot. Bonds4

About 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine

1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine (PubChem CID 158589602) has the molecular formula C42H60ClN9 and a molecular weight of 726.46 g/mol. Its IUPAC name is 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine
PubChem CID158589602
Molecular FormulaC42H60ClN9
Molecular Weight726.46 g/mol
Exact Mass725.47
IUPAC Name1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine
SMILESCc1cccc(N2CCNCC2)c1.Cc1cccc(N2CCNCC2C)c1.Clc1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C12H18N2.C11H16N2.C10H13ClN2.C9H13N3/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h3-5,8,11,13H,6-7,9H2,1-2H3;2-4,9,12H,5-8H2,1H3;1-4,12H,5-8H2;1-4,10H,5-8H2
InChIKeyHUGYWELRTNSZON-UHFFFAOYSA-N
XLogP5.44
TPSA73.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.46
LogP ≤ 55.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379
5-chloro-4-[6-(cyclohexylmethylamino)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]pyridin-2-amine
CID 68405100
4-N-[4-[6-[benzyl(methyl)amino]-2-pyridinyl]-5-chloro-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405339
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyridin-2-amine
CID 68405483
4-N-[5-chloro-4-[6-[ethyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405539
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(4-piperidin-1-ylcyclohexyl)pyridin-2-amine
CID 68405608
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]pyridin-2-amine
CID 68405612
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 68405629
4-N-[5-chloro-4-[6-(4-phenylpiperidin-1-yl)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 70793952
5-chloro-4-[6-(cyclohexylmethylamino)-2-pyridinyl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 70794015
6-(4-benzylpiperazin-1-yl)-8-chloro-11H-pyrido[2,3-b][1,4]benzodiazepine
CID 10363821

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine (CID 158589602) is 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine is Cc1cccc(N2CCNCC2)c1.Cc1cccc(N2CCNCC2C)c1.Clc1ccc(N2CCNCC2)cc1.c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine?
The InChIKey is HUGYWELRTNSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H16N2.C10H13ClN2.C9H13N3/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;1-2-4-11-9(3-1)12-7-5-10-6-8-12/h3-5,8,11,13H,6-7,9H2,1-2H3;2-4,9,12H,5-8H2,1H3;1-4,12H,5-8H2;1-4,10H,5-8H2.
What are the key properties of 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine?
1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine has a molecular weight of 726.46 g/mol, XLogP of 5.44, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)piperazine;2-methyl-1-(3-methylphenyl)piperazine;1-(3-methylphenyl)piperazine;1-pyridin-2-ylpiperazine is sourced from PubChem (CID 158589602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).