1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride

C19H34Cl2N2 — CID 171308868

IUPAC1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2.2ClH/c1-5-6-7-18(21-14-12-20-13-15-21)16-8-10-17(11-9-16)19(2,3)4;;/h8-11,18,20H,5-7,12-15H2,1-4H3;2*1H/t18-;;/m0../s1
InChIKeyZZVGZHJBYGWUCB-NTEVMMBTSA-N
MW361.40 g/mol
LogP4.96
Rot. Bonds5

About 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride

1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308868) has the molecular formula C19H34Cl2N2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308868
Molecular FormulaC19H34Cl2N2
Molecular Weight361.40 g/mol
Exact Mass360.21
IUPAC Name1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H32N2.2ClH/c1-5-6-7-18(21-14-12-20-13-15-21)16-8-10-17(11-9-16)19(2,3)4;;/h8-11,18,20H,5-7,12-15H2,1-4H3;2*1H/t18-;;/m0../s1
InChIKeyZZVGZHJBYGWUCB-NTEVMMBTSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride
CID 171308234
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
CID 171308505
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
N-benzyl-4-[(1S)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171308846
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride (CID 171308868) is 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is ZZVGZHJBYGWUCB-NTEVMMBTSA-N. The full InChI is InChI=1S/C19H32N2.2ClH/c1-5-6-7-18(21-14-12-20-13-15-21)16-8-10-17(11-9-16)19(2,3)4;;/h8-11,18,20H,5-7,12-15H2,1-4H3;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 361.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).