N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline

C18H23N3 — CID 115379314

IUPACN,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
SMILESCN(C)c1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C18H23N3/c1-20(2)16-9-6-10-17(13-16)21-12-11-19-18(14-21)15-7-4-3-5-8-15/h3-10,13,18-19H,11-12,14H2,1-2H3
InChIKeyGORAYTDRKNSTBV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds3

About N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline

N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline (PubChem CID 115379314) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
PubChem CID115379314
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline
SMILESCN(C)c1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C18H23N3/c1-20(2)16-9-6-10-17(13-16)21-12-11-19-18(14-21)15-7-4-3-5-8-15/h3-10,13,18-19H,11-12,14H2,1-2H3
InChIKeyGORAYTDRKNSTBV-UHFFFAOYSA-N
XLogP2.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086
3-(3-tert-butylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379271
N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 46182229
1-(3-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944303
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
1-(1,3-benzodioxol-5-yl)-3-phenylpiperazine
CID 64924639
1,3-diphenyl-1,4-diazepane
CID 64944093
3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
1-(2,6-dibromophenyl)-3-phenylpiperazine
CID 107603858
3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine
CID 126676346
3-phenyl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
CID 64952189
1-(3-fluoro-4-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944476

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline (CID 115379314) is N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline is CN(C)c1cccc(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline?
The InChIKey is GORAYTDRKNSTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20(2)16-9-6-10-17(13-16)21-12-11-19-18(14-21)15-7-4-3-5-8-15/h3-10,13,18-19H,11-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline?
N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline has a molecular weight of 281.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenylpiperazin-1-yl)aniline is sourced from PubChem (CID 115379314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).