[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone

C19H22N2O — CID 780102

IUPAC[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c1-16-7-5-6-10-18(16)15-20-11-13-21(14-12-20)19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyYFNIBCSPNFLNRW-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.95
Rot. Bonds3

About [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 780102) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID780102
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESCc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c1-16-7-5-6-10-18(16)15-20-11-13-21(14-12-20)19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyYFNIBCSPNFLNRW-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
2,3-dihydro-1H-inden-5-yl-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642471
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30868024
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
(4-bromo-3,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 27841153

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone (CID 780102) is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone is Cc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is YFNIBCSPNFLNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16-7-5-6-10-18(16)15-20-11-13-21(14-12-20)19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3.
What are the key properties of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 294.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 780102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).