[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol

C11H16ClN3O2 — CID 80710491

IUPAC[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCOc1ncc(Cl)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-17-11-13-6-9(12)10(14-11)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3
InChIKeyOFGLXQXZVSIKTO-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.35
Rot. Bonds3

About [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol

[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 80710491) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID80710491
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCOc1ncc(Cl)c(N2CCC(CO)CC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-17-11-13-6-9(12)10(14-11)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3
InChIKeyOFGLXQXZVSIKTO-UHFFFAOYSA-N
XLogP1.35
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
(3aR,7aS)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 80758287
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 97324806
3-[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 80758415
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902
1-(5-chloro-2-methoxypyrimidin-4-yl)-3-propylazetidin-3-ol
CID 80753167
1-(5-chloro-2-methoxypyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 80758705
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol (CID 80710491) is [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol is COc1ncc(Cl)c(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is OFGLXQXZVSIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-11-13-6-9(12)10(14-11)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 80710491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).