3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline

C17H28ClN3 — CID 171308229

IUPAC3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
SMILESCCCC[C@H](c1ccc(N(C)C)cc1Cl)N1CCNCC1
InChIInChI=1S/C17H28ClN3/c1-4-5-6-17(21-11-9-19-10-12-21)15-8-7-14(20(2)3)13-16(15)18/h7-8,13,17,19H,4-6,9-12H2,1-3H3/t17-/m1/s1
InChIKeyJMWPPYRJWBFTKM-QGZVFWFLSA-N
MW309.89 g/mol
LogP3.54
Rot. Bonds6

About 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline

3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline (PubChem CID 171308229) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
PubChem CID171308229
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline
SMILESCCCC[C@H](c1ccc(N(C)C)cc1Cl)N1CCNCC1
InChIInChI=1S/C17H28ClN3/c1-4-5-6-17(21-11-9-19-10-12-21)15-8-7-14(20(2)3)13-16(15)18/h7-8,13,17,19H,4-6,9-12H2,1-3H3/t17-/m1/s1
InChIKeyJMWPPYRJWBFTKM-QGZVFWFLSA-N
XLogP3.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline 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

3-chloro-N,N-dimethyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline
CID 171309527
3-chloro-N,N-dimethyl-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]aniline
CID 171304008
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
3-chloro-N,N-dimethyl-4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171304007
3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
CID 171294553
1-[(1S)-1-(6-chloro-1,3-benzodioxol-5-yl)pentyl]piperazine
CID 171309691
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-1-(2,4-dichlorophenyl)butyl]piperazine;dihydrochloride
CID 171281865
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037
5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307249
3-chloro-N,N-dimethyl-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]aniline
CID 171294528

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline (CID 171308229) is 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline is CCCC[C@H](c1ccc(N(C)C)cc1Cl)N1CCNCC1.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline?
The InChIKey is JMWPPYRJWBFTKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-5-6-17(21-11-9-19-10-12-21)15-8-7-14(20(2)3)13-16(15)18/h7-8,13,17,19H,4-6,9-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline?
3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline has a molecular weight of 309.89 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]aniline is sourced from PubChem (CID 171308229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).