1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine

C15H22Cl2N2 — CID 171308919

IUPAC1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m0/s1
InChIKeyAFTNTFAIVATOFY-HNNXBMFYSA-N
MW301.26 g/mol
LogP4.13
Rot. Bonds5

About 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine

1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine (PubChem CID 171308919) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
PubChem CID171308919
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m0/s1
InChIKeyAFTNTFAIVATOFY-HNNXBMFYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]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-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
CID 171169830
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine (CID 171308919) is 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine is CCCC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine?
The InChIKey is AFTNTFAIVATOFY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-3-4-15(19-7-5-18-6-8-19)12-9-13(16)11-14(17)10-12/h9-11,15,18H,2-8H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine?
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine has a molecular weight of 301.26 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine is sourced from PubChem (CID 171308919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).