4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine

C17H21N3O — CID 133308306

IUPAC4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCCC(COc3ccccc3)C2)ncn1
InChIInChI=1S/C17H21N3O/c1-14-10-17(19-13-18-14)20-9-5-6-15(11-20)12-21-16-7-3-2-4-8-16/h2-4,7-8,10,13,15H,5-6,9,11-12H2,1H3
InChIKeyUFFBOKONFJQFGI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.08
Rot. Bonds4

About 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine

4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 133308306) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
PubChem CID133308306
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCCC(COc3ccccc3)C2)ncn1
InChIInChI=1S/C17H21N3O/c1-14-10-17(19-13-18-14)20-9-5-6-15(11-20)12-21-16-7-3-2-4-8-16/h2-4,7-8,10,13,15H,5-6,9,11-12H2,1H3
InChIKeyUFFBOKONFJQFGI-UHFFFAOYSA-N
XLogP3.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95829142
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97274690
4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine (CID 133308306) is 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine is Cc1cc(N2CCCC(COc3ccccc3)C2)ncn1.
What is the InChIKey of 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is UFFBOKONFJQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-10-17(19-13-18-14)20-9-5-6-15(11-20)12-21-16-7-3-2-4-8-16/h2-4,7-8,10,13,15H,5-6,9,11-12H2,1H3.
What are the key properties of 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine?
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133308306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).