2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine

C23H32N4 — CID 59230378

IUPAC2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
SMILESCC1CCC(CCc2ccc(N3CCN(c4ncccn4)CC3)cc2)CC1
InChIInChI=1S/C23H32N4/c1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)26-15-17-27(18-16-26)23-24-13-2-14-25-23/h2,9-14,19-20H,3-8,15-18H2,1H3
InChIKeyOJBVSSPLJLTAKU-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.56
Rot. Bonds5

About 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine

2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine (PubChem CID 59230378) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
PubChem CID59230378
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine
SMILESCC1CCC(CCc2ccc(N3CCN(c4ncccn4)CC3)cc2)CC1
InChIInChI=1S/C23H32N4/c1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)26-15-17-27(18-16-26)23-24-13-2-14-25-23/h2,9-14,19-20H,3-8,15-18H2,1H3
InChIKeyOJBVSSPLJLTAKU-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]piperazin-1-yl]pyrimidine
CID 158496312
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole
CID 59549594
tert-butyl-dimethyl-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]oxysilane
CID 59546367
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
CID 59549688
2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
CID 59865110
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
N'-methyl-N-[(4-methylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205460
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine (CID 59230378) is 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine is CC1CCC(CCc2ccc(N3CCN(c4ncccn4)CC3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine?
The InChIKey is OJBVSSPLJLTAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)26-15-17-27(18-16-26)23-24-13-2-14-25-23/h2,9-14,19-20H,3-8,15-18H2,1H3.
What are the key properties of 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine?
2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine has a molecular weight of 364.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 59230378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).