2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine

C16H26N4 — CID 5143216

IUPAC2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCCC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16/h3,8-9,14-15H,2,4-7,10-13H2,1H3
InChIKeyWYMVOPBKSKYGJU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.57
Rot. Bonds3

About 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine

2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine (PubChem CID 5143216) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
PubChem CID5143216
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCCC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H26N4/c1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16/h3,8-9,14-15H,2,4-7,10-13H2,1H3
InChIKeyWYMVOPBKSKYGJU-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762763
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
1-(4-ethylcyclohexyl)-4-iodopiperazine
CID 166536965
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205702
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine (CID 5143216) is 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine is CCC1CCC(N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine?
The InChIKey is WYMVOPBKSKYGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-14-4-6-15(7-5-14)19-10-12-20(13-11-19)16-17-8-3-9-18-16/h3,8-9,14-15H,2,4-7,10-13H2,1H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine?
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 5143216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).