5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol

C21H37N3O — CID 166459295

IUPAC5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
SMILESCC(C)O.CC(C)c1ncc(C2CCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C18H29N3.C3H8O/c1-14(2)18-19-12-16(13-20-18)15-8-10-21(11-9-15)17-6-4-3-5-7-17;1-3(2)4/h12-15,17H,3-11H2,1-2H3;3-4H,1-2H3
InChIKeyNOYQSBAEPPNLTJ-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.50
Rot. Bonds3

About 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol

5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol (PubChem CID 166459295) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol.

Molecular Properties

Compound Name5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
PubChem CID166459295
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Name5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
SMILESCC(C)O.CC(C)c1ncc(C2CCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C18H29N3.C3H8O/c1-14(2)18-19-12-16(13-20-18)15-8-10-21(11-9-15)17-6-4-3-5-7-17;1-3(2)4/h12-15,17H,3-11H2,1-2H3;3-4H,1-2H3
InChIKeyNOYQSBAEPPNLTJ-UHFFFAOYSA-N
XLogP4.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459574
5-[1-[4-(1-iodoethyl)cyclohexyl]piperidin-4-yl]-2-propan-2-ylpyrimidine
CID 170613883
1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
CID 166458469
2-methylpropanal;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 166458947
phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 170613481
1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 166458532
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
(8aR)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99937780
3-methyl-8-[5-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 167109955
1-cyclohexylazetidine;2-methylpropane
CID 178017193
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The IUPAC name of 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol (CID 166459295) is 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol.
What is the SMILES notation for 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The canonical SMILES for 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol is CC(C)O.CC(C)c1ncc(C2CCN(C3CCCCC3)CC2)cn1.
What is the InChIKey of 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
The InChIKey is NOYQSBAEPPNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.C3H8O/c1-14(2)18-19-12-16(13-20-18)15-8-10-21(11-9-15)17-6-4-3-5-7-17;1-3(2)4/h12-15,17H,3-11H2,1-2H3;3-4H,1-2H3.
What are the key properties of 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol?
5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol has a molecular weight of 347.55 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol is sourced from PubChem (CID 166459295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).