1-[4-(4-propylphenyl)butan-2-yl]piperazine

C17H28N2 — CID 116931952

IUPAC1-[4-(4-propylphenyl)butan-2-yl]piperazine
SMILESCCCc1ccc(CCC(C)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-4-16-7-9-17(10-8-16)6-5-15(2)19-13-11-18-12-14-19/h7-10,15,18H,3-6,11-14H2,1-2H3
InChIKeyRDFUWRPKRPKZGK-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.87
Rot. Bonds6

About 1-[4-(4-propylphenyl)butan-2-yl]piperazine

1-[4-(4-propylphenyl)butan-2-yl]piperazine (PubChem CID 116931952) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[4-(4-propylphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(4-propylphenyl)butan-2-yl]piperazine
PubChem CID116931952
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[4-(4-propylphenyl)butan-2-yl]piperazine
SMILESCCCc1ccc(CCC(C)N2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-4-16-7-9-17(10-8-16)6-5-15(2)19-13-11-18-12-14-19/h7-10,15,18H,3-6,11-14H2,1-2H3
InChIKeyRDFUWRPKRPKZGK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
2-amino-5-(3-piperazin-1-ylbutyl)benzenethiol
CID 116998469
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
1-heptan-2-ylpiperazine
CID 61464712
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
CID 116931969
N-[2-(4-methylphenyl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255755
1-[1-(4-butylphenyl)propyl]piperazine
CID 112512741
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(4-propylphenyl)butan-2-yl]piperazine (CID 116931952) is 1-[4-(4-propylphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(4-propylphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(4-propylphenyl)butan-2-yl]piperazine is CCCc1ccc(CCC(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(4-propylphenyl)butan-2-yl]piperazine?
The InChIKey is RDFUWRPKRPKZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-16-7-9-17(10-8-16)6-5-15(2)19-13-11-18-12-14-19/h7-10,15,18H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[4-(4-propylphenyl)butan-2-yl]piperazine?
1-[4-(4-propylphenyl)butan-2-yl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 116931952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).