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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Related Compounds

4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 97063194
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777
6-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063222
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
3-cyclopropyl-5-[(1R)-1-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98798335
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 52909637
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
2-methyl-1-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116898054

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).