1-[(3-chloro-4-methylphenyl)methyl]piperazine

C12H17ClN2 — CID 63195406

IUPAC1-[(3-chloro-4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-10-2-3-11(8-12(10)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySYSXAPORLSZJBA-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.05
Rot. Bonds2

About 1-[(3-chloro-4-methylphenyl)methyl]piperazine

1-[(3-chloro-4-methylphenyl)methyl]piperazine (PubChem CID 63195406) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)methyl]piperazine
PubChem CID63195406
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-[(3-chloro-4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-10-2-3-11(8-12(10)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySYSXAPORLSZJBA-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
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1-[(4-methylphenyl)methyl]imidazolidine
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1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
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1-[[3-chloro-4-(thian-4-yl)phenyl]methyl]piperazine
CID 117495742
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
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CID 21334669
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]piperazine (CID 63195406) is 1-[(3-chloro-4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)methyl]piperazine?
The InChIKey is SYSXAPORLSZJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-2-3-11(8-12(10)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[(3-chloro-4-methylphenyl)methyl]piperazine?
1-[(3-chloro-4-methylphenyl)methyl]piperazine has a molecular weight of 224.73 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 63195406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).