(3R)-1-(3-chlorophenyl)-3-methylpiperazine

C11H15ClN2 — CID 10822374

IUPAC(3R)-1-(3-chlorophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2cccc(Cl)c2)CCN1
InChIInChI=1S/C11H15ClN2/c1-9-8-14(6-5-13-9)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyGRBUTWWFTFQSMF-SECBINFHSA-N
MW210.71 g/mol
LogP2.14
Rot. Bonds1

About (3R)-1-(3-chlorophenyl)-3-methylpiperazine

(3R)-1-(3-chlorophenyl)-3-methylpiperazine (PubChem CID 10822374) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-3-methylpiperazine
PubChem CID10822374
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name(3R)-1-(3-chlorophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2cccc(Cl)c2)CCN1
InChIInChI=1S/C11H15ClN2/c1-9-8-14(6-5-13-9)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyGRBUTWWFTFQSMF-SECBINFHSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(3-chlorophenyl)-3-methylpiperazine (CID 10822374) is (3R)-1-(3-chlorophenyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-3-methylpiperazine is C[C@@H]1CN(c2cccc(Cl)c2)CCN1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-3-methylpiperazine?
The InChIKey is GRBUTWWFTFQSMF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-8-14(6-5-13-9)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-3-methylpiperazine?
(3R)-1-(3-chlorophenyl)-3-methylpiperazine has a molecular weight of 210.71 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-3-methylpiperazine is sourced from PubChem (CID 10822374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).