1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol

C16H25ClN4O — CID 123375262

IUPAC1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
SMILESCCc1cnc(Cl)nc1N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C16H25ClN4O/c1-2-12-10-18-16(17)19-15(12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,2-9,11H2,1H3
InChIKeyURVUSTQLBGSZIE-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol

1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol (PubChem CID 123375262) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
PubChem CID123375262
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol
SMILESCCc1cnc(Cl)nc1N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C16H25ClN4O/c1-2-12-10-18-16(17)19-15(12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,2-9,11H2,1H3
InChIKeyURVUSTQLBGSZIE-UHFFFAOYSA-N
XLogP2.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 79076184
1-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 137339200
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
CID 95208997
(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-ol
CID 97188302
(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
CID 129385370
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
CID 70705789
2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56911600

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol (CID 123375262) is 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol is CCc1cnc(Cl)nc1N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is URVUSTQLBGSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O/c1-2-12-10-18-16(17)19-15(12)20-8-5-13(6-9-20)21-7-3-4-14(22)11-21/h10,13-14,22H,2-9,11H2,1H3.
What are the key properties of 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol?
1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 324.86 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-ethylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 123375262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).