4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine

C18H23N3O — CID 141454585

IUPAC4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(C2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H23N3O/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/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3
InChIKeyKTLHCHWXMZEYLD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.00
Rot. Bonds5

About 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine

4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine (PubChem CID 141454585) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
PubChem CID141454585
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(C2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H23N3O/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/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3
InChIKeyKTLHCHWXMZEYLD-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 97063194
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 100748585
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 52909637
N-[[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]methoxy]-N-methylmethanamine
CID 89100460
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine (CID 141454585) is 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine is COCc1nccc(C2CCCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine?
The InChIKey is KTLHCHWXMZEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/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/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine?
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine has a molecular weight of 297.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 141454585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).