2-(4-phenylmethoxypiperidin-1-yl)pyrimidine

C16H19N3O — CID 95811444

IUPAC2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
SMILESc1ccc(COC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-14(6-3-1)13-20-15-7-11-19(12-8-15)16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2
InChIKeyKDAGLDZBXWMTDY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine

2-(4-phenylmethoxypiperidin-1-yl)pyrimidine (PubChem CID 95811444) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
PubChem CID95811444
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
SMILESc1ccc(COC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O/c1-2-5-14(6-3-1)13-20-15-7-11-19(12-8-15)16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2
InChIKeyKDAGLDZBXWMTDY-UHFFFAOYSA-N
XLogP2.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
CID 140728394
azane;cyclopentyloxymethylbenzene
CID 69411306
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine
CID 124617418
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
CID 56901960
(7R,8aS)-7-phenylmethoxy-2-pyrimidin-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171692852
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine (CID 95811444) is 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine is c1ccc(COC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
The InChIKey is KDAGLDZBXWMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-5-14(6-3-1)13-20-15-7-11-19(12-8-15)16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2.
What are the key properties of 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine?
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 95811444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).