(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

C19H21ClN2O — CID 24724584

IUPAC(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccc(C(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-21-10-12-22(13-11-21)14-15-6-8-16(9-7-15)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3
InChIKeyFFIONIBFQWFYDO-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.32
Rot. Bonds4

About (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 24724584) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID24724584
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCN1CCN(Cc2ccc(C(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-21-10-12-22(13-11-21)14-15-6-8-16(9-7-15)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3
InChIKeyFFIONIBFQWFYDO-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725046
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1-methyl-4-[(4-prop-1-en-2-ylphenyl)methyl]piperazine
CID 145147201

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone (CID 24724584) is (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is CN1CCN(Cc2ccc(C(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is FFIONIBFQWFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21-10-12-22(13-11-21)14-15-6-8-16(9-7-15)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone?
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 328.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24724584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).