1-butyl-4-(1-cyclohexylethenyl)piperazine;methane

C17H34N2 — CID 164918186

IUPAC1-butyl-4-(1-cyclohexylethenyl)piperazine;methane
SMILESC.C=C(C1CCCCC1)N1CCN(CCCC)CC1
InChIInChI=1S/C16H30N2.CH4/c1-3-4-10-17-11-13-18(14-12-17)15(2)16-8-6-5-7-9-16;/h16H,2-14H2,1H3;1H4
InChIKeyNZAHBVADYWNZNQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.13
Rot. Bonds5

About 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane

1-butyl-4-(1-cyclohexylethenyl)piperazine;methane (PubChem CID 164918186) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane.

Molecular Properties

Compound Name1-butyl-4-(1-cyclohexylethenyl)piperazine;methane
PubChem CID164918186
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-butyl-4-(1-cyclohexylethenyl)piperazine;methane
SMILESC.C=C(C1CCCCC1)N1CCN(CCCC)CC1
InChIInChI=1S/C16H30N2.CH4/c1-3-4-10-17-11-13-18(14-12-17)15(2)16-8-6-5-7-9-16;/h16H,2-14H2,1H3;1H4
InChIKeyNZAHBVADYWNZNQ-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane?
The IUPAC name of 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane (CID 164918186) is 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane.
What is the SMILES notation for 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane?
The canonical SMILES for 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane is C.C=C(C1CCCCC1)N1CCN(CCCC)CC1.
What is the InChIKey of 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane?
The InChIKey is NZAHBVADYWNZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.CH4/c1-3-4-10-17-11-13-18(14-12-17)15(2)16-8-6-5-7-9-16;/h16H,2-14H2,1H3;1H4.
What are the key properties of 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane?
1-butyl-4-(1-cyclohexylethenyl)piperazine;methane has a molecular weight of 266.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-cyclohexylethenyl)piperazine;methane is sourced from PubChem (CID 164918186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).