4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol

C16H19N3O2 — CID 136998972

IUPAC4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1
InChIInChI=1S/C16H19N3O2/c20-14-6-4-12(5-7-14)16-18-9-15(10-19-16)21-11-13-3-1-2-8-17-13/h4-7,9-10,13,17,20H,1-3,8,11H2
InChIKeyRDLKFNCMQAKYAN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds4

About 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol

4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol (PubChem CID 136998972) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
PubChem CID136998972
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1
InChIInChI=1S/C16H19N3O2/c20-14-6-4-12(5-7-14)16-18-9-15(10-19-16)21-11-13-3-1-2-8-17-13/h4-7,9-10,13,17,20H,1-3,8,11H2
InChIKeyRDLKFNCMQAKYAN-UHFFFAOYSA-N
XLogP2.37
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
CID 117230889
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
CID 173311390
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747

Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol (CID 136998972) is 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol is Oc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1.
What is the InChIKey of 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The InChIKey is RDLKFNCMQAKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-6-4-12(5-7-14)16-18-9-15(10-19-16)21-11-13-3-1-2-8-17-13/h4-7,9-10,13,17,20H,1-3,8,11H2.
What are the key properties of 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol has a molecular weight of 285.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).