1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol

C10H14ClN3O2 — CID 80711574

IUPAC1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
SMILESCOc1ncc(Cl)c(N2CCC(O)CC2)n1
InChIInChI=1S/C10H14ClN3O2/c1-16-10-12-6-8(11)9(13-10)14-4-2-7(15)3-5-14/h6-7,15H,2-5H2,1H3
InChIKeyHBSMNFBRIHLFSQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.10
Rot. Bonds2

About 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol

1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol (PubChem CID 80711574) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
PubChem CID80711574
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
SMILESCOc1ncc(Cl)c(N2CCC(O)CC2)n1
InChIInChI=1S/C10H14ClN3O2/c1-16-10-12-6-8(11)9(13-10)14-4-2-7(15)3-5-14/h6-7,15H,2-5H2,1H3
InChIKeyHBSMNFBRIHLFSQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
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
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
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
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023
1-(5-chloro-2-methoxypyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 80758705
trans-(1R,2R)-2-[(2R)-1-(5-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129447539
3-[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 80758415
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-2-methoxypyrimidine
CID 102786275
1-(5-chloro-2-methoxypyrimidin-4-yl)-3-propylazetidin-3-ol
CID 80753167

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol (CID 80711574) is 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol is COc1ncc(Cl)c(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol?
The InChIKey is HBSMNFBRIHLFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-10-12-6-8(11)9(13-10)14-4-2-7(15)3-5-14/h6-7,15H,2-5H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol?
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol has a molecular weight of 243.69 g/mol, XLogP of 1.10, 2 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-ol is sourced from PubChem (CID 80711574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).