3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline

C19H25N3 — CID 110454866

IUPAC3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3/c1-20(2)18-9-6-10-19(15-18)22-13-11-21(12-14-22)16-17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNCDHNLNXORBEMW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.07
Rot. Bonds4

About 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline

3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 110454866) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID110454866
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H25N3/c1-20(2)18-9-6-10-19(15-18)22-13-11-21(12-14-22)16-17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNCDHNLNXORBEMW-UHFFFAOYSA-N
XLogP3.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
3-[4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylaniline
CID 58765512
4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde
CID 87257695
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline (CID 110454866) is 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline is CN(C)c1cccc(N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is NCDHNLNXORBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-20(2)18-9-6-10-19(15-18)22-13-11-21(12-14-22)16-17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline?
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 295.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 110454866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).