5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C18H29N3 — CID 155741054

IUPAC5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2ncc(C3CCCCC3)cn2)CC1
InChIInChI=1S/C18H29N3/c1-14(2)15-8-10-21(11-9-15)18-19-12-17(13-20-18)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3
InChIKeyVKOIUXSJWLHRIM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.40
Rot. Bonds3

About 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 155741054) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID155741054
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)C1CCN(c2ncc(C3CCCCC3)cn2)CC1
InChIInChI=1S/C18H29N3/c1-14(2)15-8-10-21(11-9-15)18-19-12-17(13-20-18)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3
InChIKeyVKOIUXSJWLHRIM-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
2-(4-propan-2-ylpiperidin-1-yl)pyrimidine-5-sulfinate
CID 166900854
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]cyclobutane-1,3-diamine
CID 175562316
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 155741054) is 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CC(C)C1CCN(c2ncc(C3CCCCC3)cn2)CC1.
What is the InChIKey of 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is VKOIUXSJWLHRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)15-8-10-21(11-9-15)18-19-12-17(13-20-18)16-6-4-3-5-7-16/h12-16H,3-11H2,1-2H3.
What are the key properties of 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 287.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 155741054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).