1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine

C14H21ClN2 — CID 106864175

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCc1ccc(CN2CCNCC2(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-4-5-12(13(15)8-11)9-17-7-6-16-10-14(17,2)3/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyLRGFDAHVOJEEIV-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.83
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine

1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 106864175) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
PubChem CID106864175
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCc1ccc(CN2CCNCC2(C)C)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-4-5-12(13(15)8-11)9-17-7-6-16-10-14(17,2)3/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyLRGFDAHVOJEEIV-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine (CID 106864175) is 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine is Cc1ccc(CN2CCNCC2(C)C)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is LRGFDAHVOJEEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-4-5-12(13(15)8-11)9-17-7-6-16-10-14(17,2)3/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine?
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 106864175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).