1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine

C14H21ClN2 — CID 138530462

IUPAC1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
SMILESCC1CN(c2ccc(C(C)C)cc2Cl)CCN1
InChIInChI=1S/C14H21ClN2/c1-10(2)12-4-5-14(13(15)8-12)17-7-6-16-11(3)9-17/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyIARJPRRNKQSFRV-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine

1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine (PubChem CID 138530462) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
PubChem CID138530462
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine
SMILESCC1CN(c2ccc(C(C)C)cc2Cl)CCN1
InChIInChI=1S/C14H21ClN2/c1-10(2)12-4-5-14(13(15)8-12)17-7-6-16-11(3)9-17/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyIARJPRRNKQSFRV-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-propan-2-ylphenyl)-3-methylpiperazine?
The IUPAC name of 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine (CID 138530462) is 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine?
The canonical SMILES for 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine is CC1CN(c2ccc(C(C)C)cc2Cl)CCN1.
What is the InChIKey of 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine?
The InChIKey is IARJPRRNKQSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(2)12-4-5-14(13(15)8-12)17-7-6-16-11(3)9-17/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine?
1-(2-chloro-4-propan-2-ylphenyl)-3-methylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 3.26, 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-propan-2-ylphenyl)-3-methylpiperazine is sourced from PubChem (CID 138530462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).