1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride

C15H25Cl3N2 — CID 171308680

IUPAC1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-2-3-7-15(18-10-8-17-9-11-18)13-5-4-6-14(16)12-13;;/h4-6,12,15,17H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyLKXHPYMILKFABD-CKUXDGONSA-N
MW339.74 g/mol
LogP4.32
Rot. Bonds5

About 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308680) has the molecular formula C15H25Cl3N2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308680
Molecular FormulaC15H25Cl3N2
Molecular Weight339.74 g/mol
Exact Mass338.11
IUPAC Name1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2.2ClH/c1-2-3-7-15(18-10-8-17-9-11-18)13-5-4-6-14(16)12-13;;/h4-6,12,15,17H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyLKXHPYMILKFABD-CKUXDGONSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
CID 171169830
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride (CID 171308680) is 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1cccc(Cl)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is LKXHPYMILKFABD-CKUXDGONSA-N. The full InChI is InChI=1S/C15H23ClN2.2ClH/c1-2-3-7-15(18-10-8-17-9-11-18)13-5-4-6-14(16)12-13;;/h4-6,12,15,17H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 339.74 g/mol, XLogP of 4.32, 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-chlorophenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).