(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C12H15ClN2O — CID 81427998

IUPAC(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2Cl)CCN1
InChIInChI=1S/C12H15ClN2O/c1-9-8-15(7-6-14-9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyDBBOYXSBMQZVHV-SECBINFHSA-N
MW238.72 g/mol
LogP1.77
Rot. Bonds1

About (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81427998) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81427998
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2Cl)CCN1
InChIInChI=1S/C12H15ClN2O/c1-9-8-15(7-6-14-9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1
InChIKeyDBBOYXSBMQZVHV-SECBINFHSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81427998) is (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2ccccc2Cl)CCN1.
What is the InChIKey of (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is DBBOYXSBMQZVHV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-8-15(7-6-14-9)12(16)10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 238.72 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).