1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine

C18H22ClN3 — CID 110452644

IUPAC1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine
SMILESCc1c(Cl)cccc1N1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C18H22ClN3/c1-14-17(19)4-3-5-18(14)22-12-10-21(11-13-22)15(2)16-6-8-20-9-7-16/h3-9,15H,10-13H2,1-2H3
InChIKeyHYAQLUQMNRKPBP-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine

1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine (PubChem CID 110452644) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine
PubChem CID110452644
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine
SMILESCc1c(Cl)cccc1N1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C18H22ClN3/c1-14-17(19)4-3-5-18(14)22-12-10-21(11-13-22)15(2)16-6-8-20-9-7-16/h3-9,15H,10-13H2,1-2H3
InChIKeyHYAQLUQMNRKPBP-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
CID 110454906
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113076702
1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
CID 138111695
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
(3-methylphenyl)-[4-[(1R)-1-pyridin-4-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95621591
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine (CID 110452644) is 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine is Cc1c(Cl)cccc1N1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine?
The InChIKey is HYAQLUQMNRKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-14-17(19)4-3-5-18(14)22-12-10-21(11-13-22)15(2)16-6-8-20-9-7-16/h3-9,15H,10-13H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine?
1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine has a molecular weight of 315.85 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-4-(1-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 110452644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).