1-[1-(4-butylphenyl)propyl]piperazine

C17H28N2 — CID 112512741

IUPAC1-[1-(4-butylphenyl)propyl]piperazine
SMILESCCCCc1ccc(C(CC)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-5-6-15-7-9-16(10-8-15)17(4-2)19-13-11-18-12-14-19/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyBLHHVIIGZZEFHC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.39
Rot. Bonds6

About 1-[1-(4-butylphenyl)propyl]piperazine

1-[1-(4-butylphenyl)propyl]piperazine (PubChem CID 112512741) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(4-butylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-butylphenyl)propyl]piperazine
PubChem CID112512741
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(4-butylphenyl)propyl]piperazine
SMILESCCCCc1ccc(C(CC)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-5-6-15-7-9-16(10-8-15)17(4-2)19-13-11-18-12-14-19/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyBLHHVIIGZZEFHC-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
4-[(1S)-1-piperazin-1-ylpropyl]benzonitrile;dihydrochloride
CID 171272506
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylphenyl)propyl]piperazine?
The IUPAC name of 1-[1-(4-butylphenyl)propyl]piperazine (CID 112512741) is 1-[1-(4-butylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[1-(4-butylphenyl)propyl]piperazine?
The canonical SMILES for 1-[1-(4-butylphenyl)propyl]piperazine is CCCCc1ccc(C(CC)N2CCNCC2)cc1.
What is the InChIKey of 1-[1-(4-butylphenyl)propyl]piperazine?
The InChIKey is BLHHVIIGZZEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-6-15-7-9-16(10-8-15)17(4-2)19-13-11-18-12-14-19/h7-10,17-18H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[1-(4-butylphenyl)propyl]piperazine?
1-[1-(4-butylphenyl)propyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butylphenyl)propyl]piperazine is sourced from PubChem (CID 112512741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).