1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine

C20H23ClN2O3 — CID 1352847

IUPAC1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc2c1OCO2
InChIInChI=1S/C20H23ClN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-8-6-22(7-9-23)12-15-2-4-17(21)5-3-15/h2-5,10-11H,6-9,12-14H2,1H3
InChIKeyXDYQOJRGTMCXHO-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.40
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine (PubChem CID 1352847) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
PubChem CID1352847
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc2c1OCO2
InChIInChI=1S/C20H23ClN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-8-6-22(7-9-23)12-15-2-4-17(21)5-3-15/h2-5,10-11H,6-9,12-14H2,1H3
InChIKeyXDYQOJRGTMCXHO-UHFFFAOYSA-N
XLogP3.40
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1161062
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[(2-chloropyridine-4-carbonyl)amino]carbamate
CID 6733057
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrimidine
CID 74246946
3-chloro-N-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 6735551
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-3-methoxyphenyl)sulfonylpiperazine
CID 6491446
7-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 77091899
8-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72923481
2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45204218
4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136766161
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine (CID 1352847) is 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine is COc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc2c1OCO2.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
The InChIKey is XDYQOJRGTMCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-8-6-22(7-9-23)12-15-2-4-17(21)5-3-15/h2-5,10-11H,6-9,12-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine has a molecular weight of 374.87 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine is sourced from PubChem (CID 1352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).