[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate

C17H25N3O2 — CID 139796056

IUPAC[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCC(N2CCNCC2c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)22-16-4-2-15(3-5-16)20-11-10-19-12-17(20)14-6-8-18-9-7-14/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyQFDNSNJETZXOSR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.90
Rot. Bonds3

About [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate

[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate (PubChem CID 139796056) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate.

Molecular Properties

Compound Name[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate
PubChem CID139796056
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCC(N2CCNCC2c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)22-16-4-2-15(3-5-16)20-11-10-19-12-17(20)14-6-8-18-9-7-14/h6-9,15-17,19H,2-5,10-12H2,1H3
InChIKeyQFDNSNJETZXOSR-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
1-cyclobutyl-2-phenylpiperazine
CID 64931514
ethyl 1-benzoyl-4-(2-pyridin-4-ylpiperazin-1-yl)piperidine-3-carboxylate
CID 70078986
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
4-(2-pyridin-4-ylpiperazin-1-yl)phenol
CID 18918318
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
CID 138000455
4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide
CID 70058101
2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine
CID 70270499
ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-4-carboxylate
CID 18918322
(2,5-dimethyl-1,3-thiazol-4-yl)-(2-pyridin-4-ylpiperazin-1-yl)methanone
CID 128877823
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate?
The IUPAC name of [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate (CID 139796056) is [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate.
What is the SMILES notation for [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate?
The canonical SMILES for [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate is CC(=O)OC1CCC(N2CCNCC2c2ccncc2)CC1.
What is the InChIKey of [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate?
The InChIKey is QFDNSNJETZXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)22-16-4-2-15(3-5-16)20-11-10-19-12-17(20)14-6-8-18-9-7-14/h6-9,15-17,19H,2-5,10-12H2,1H3.
What are the key properties of [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate?
[4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate has a molecular weight of 303.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-4-ylpiperazin-1-yl)cyclohexyl] acetate is sourced from PubChem (CID 139796056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).