(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol

C10H14ClN3O — CID 131002548

IUPAC(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-7-4-8(15)6-14(5-7)9-2-3-12-10(11)13-9/h2-3,7-8,15H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyUJEHQBWAPBDDBE-SFYZADRCSA-N
MW227.69 g/mol
LogP1.34
Rot. Bonds1

About (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol

(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol (PubChem CID 131002548) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol
PubChem CID131002548
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(c2ccnc(Cl)n2)C1
InChIInChI=1S/C10H14ClN3O/c1-7-4-8(15)6-14(5-7)9-2-3-12-10(11)13-9/h2-3,7-8,15H,4-6H2,1H3/t7-,8+/m1/s1
InChIKeyUJEHQBWAPBDDBE-SFYZADRCSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-pyrimidin-4-ylpiperidin-3-ol
CID 130802853
1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol
CID 131003157
[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]carbamic acid
CID 151158754
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
methyl 2-[4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]sulfanylacetate
CID 110278190
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol (CID 131002548) is (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(c2ccnc(Cl)n2)C1.
What is the InChIKey of (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol?
The InChIKey is UJEHQBWAPBDDBE-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-8(15)6-14(5-7)9-2-3-12-10(11)13-9/h2-3,7-8,15H,4-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol?
(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 131002548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).