[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

C21H25ClN2O2 — CID 134043799

IUPAC[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-16(19-5-3-4-6-20(19)22)23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)15-26-2/h3-10,16H,11-15H2,1-2H3
InChIKeyCYGWLYREIJWZEZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.01
Rot. Bonds5

About [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 134043799) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID134043799
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-16(19-5-3-4-6-20(19)22)23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)15-26-2/h3-10,16H,11-15H2,1-2H3
InChIKeyCYGWLYREIJWZEZ-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 92510955
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55774411
N-cyclopropyl-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]propanamide
CID 51299638
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 8638842
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721
3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 55650985

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (CID 134043799) is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCN(C(C)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is CYGWLYREIJWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16(19-5-3-4-6-20(19)22)23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)15-26-2/h3-10,16H,11-15H2,1-2H3.
What are the key properties of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 134043799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).