(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride

C18H21ClN2O2 — CID 119470393

IUPAC(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-14-13-19-11-12-20(14)18(21)15-7-9-17(10-8-15)22-16-5-3-2-4-6-16;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyMOEYPGWNEVAVKW-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.33
Rot. Bonds3

About (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride

(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride (PubChem CID 119470393) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
PubChem CID119470393
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-14-13-19-11-12-20(14)18(21)15-7-9-17(10-8-15)22-16-5-3-2-4-6-16;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyMOEYPGWNEVAVKW-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119472958
[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride (CID 119470393) is (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride is CC1CNCCN1C(=O)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
The InChIKey is MOEYPGWNEVAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-14-13-19-11-12-20(14)18(21)15-7-9-17(10-8-15)22-16-5-3-2-4-6-16;/h2-10,14,19H,11-13H2,1H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride?
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119470393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).