(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride

C13H19ClN2O2 — CID 174377546

IUPAC(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)C1CNCCN1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-15-8-7-14-9-11(15)13(16)10-5-3-4-6-12(10)17-2;/h3-6,11,14H,7-9H2,1-2H3;1H
InChIKeyDECXMYSWEPIJPS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.20
Rot. Bonds3

About (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride

(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride (PubChem CID 174377546) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
PubChem CID174377546
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
SMILESCOc1ccccc1C(=O)C1CNCCN1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-15-8-7-14-9-11(15)13(16)10-5-3-4-6-12(10)17-2;/h3-6,11,14H,7-9H2,1-2H3;1H
InChIKeyDECXMYSWEPIJPS-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanone
CID 116919723
(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919681
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride?
The IUPAC name of (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride (CID 174377546) is (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride?
The canonical SMILES for (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride is COc1ccccc1C(=O)C1CNCCN1C.Cl.
What is the InChIKey of (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride?
The InChIKey is DECXMYSWEPIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-15-8-7-14-9-11(15)13(16)10-5-3-4-6-12(10)17-2;/h3-6,11,14H,7-9H2,1-2H3;1H.
What are the key properties of (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride?
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 174377546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).