1-(4-cyclohexylpiperazin-1-yl)butyl formate

C15H28N2O2 — CID 173078842

IUPAC1-(4-cyclohexylpiperazin-1-yl)butyl formate
SMILESCCCC(OC=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-6-15(19-13-18)17-11-9-16(10-12-17)14-7-4-3-5-8-14/h13-15H,2-12H2,1H3
InChIKeyJWDZPDKIIWWLLX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-cyclohexylpiperazin-1-yl)butyl formate

1-(4-cyclohexylpiperazin-1-yl)butyl formate (PubChem CID 173078842) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)butyl formate.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)butyl formate
PubChem CID173078842
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)butyl formate
SMILESCCCC(OC=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-6-15(19-13-18)17-11-9-16(10-12-17)14-7-4-3-5-8-14/h13-15H,2-12H2,1H3
InChIKeyJWDZPDKIIWWLLX-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
CID 62368612
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpentan-1-amine
CID 83055173
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
1-cyclooctyl-4-ethylpiperidine
CID 166912803
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62446735

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)butyl formate?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)butyl formate (CID 173078842) is 1-(4-cyclohexylpiperazin-1-yl)butyl formate.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)butyl formate?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)butyl formate is CCCC(OC=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)butyl formate?
The InChIKey is JWDZPDKIIWWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-6-15(19-13-18)17-11-9-16(10-12-17)14-7-4-3-5-8-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)butyl formate?
1-(4-cyclohexylpiperazin-1-yl)butyl formate has a molecular weight of 268.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)butyl formate is sourced from PubChem (CID 173078842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).