4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine

C18H29N3O — CID 71891333

IUPAC4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(C2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C18H29N3O/c1-22-14-18-19-10-9-17(20-18)16-8-5-11-21(13-16)12-15-6-3-2-4-7-15/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyXUCTXALPWSOQJT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.38
Rot. Bonds5

About 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine

4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine (PubChem CID 71891333) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
PubChem CID71891333
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(C2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C18H29N3O/c1-22-14-18-19-10-9-17(20-18)16-8-5-11-21(13-16)12-15-6-3-2-4-7-15/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyXUCTXALPWSOQJT-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine (CID 71891333) is 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine is COCc1nccc(C2CCCN(CC3CCCCC3)C2)n1.
What is the InChIKey of 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The InChIKey is XUCTXALPWSOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-22-14-18-19-10-9-17(20-18)16-8-5-11-21(13-16)12-15-6-3-2-4-7-15/h9-10,15-16H,2-8,11-14H2,1H3.
What are the key properties of 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine has a molecular weight of 303.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 71891333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).