1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol

C16H18ClN3O2 — CID 74251022

IUPAC1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1ccc(Cl)cc1-c1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C16H18ClN3O2/c1-22-14-3-2-11(17)10-13(14)16-18-7-4-15(19-16)20-8-5-12(21)6-9-20/h2-4,7,10,12,21H,5-6,8-9H2,1H3
InChIKeyNTGYZGUVAVNUPV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 74251022) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID74251022
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1ccc(Cl)cc1-c1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C16H18ClN3O2/c1-22-14-3-2-11(17)10-13(14)16-18-7-4-15(19-16)20-8-5-12(21)6-9-20/h2-4,7,10,12,21H,5-6,8-9H2,1H3
InChIKeyNTGYZGUVAVNUPV-UHFFFAOYSA-N
XLogP2.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50953364
(3R)-1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95122048
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 70653946
1-[2-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 122559185
(3S)-1-[2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]piperidin-3-ol
CID 95205893
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
1-[2-(2-butoxy-4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 74250510
1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
CID 68631814
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006
3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol
CID 65174652
N-(5-chloro-2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol (CID 74251022) is 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol is COc1ccc(Cl)cc1-c1nccc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is NTGYZGUVAVNUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-22-14-3-2-11(17)10-13(14)16-18-7-4-15(19-16)20-8-5-12(21)6-9-20/h2-4,7,10,12,21H,5-6,8-9H2,1H3.
What are the key properties of 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 319.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 74251022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).