[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol

C10H14ClN3O — CID 94405708

IUPAC[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c11-10-12-5-4-9(13-10)14-6-2-1-3-8(14)7-15/h4-5,8,15H,1-3,6-7H2/t8-/m0/s1
InChIKeyIRLIHMRFDBXSPA-QMMMGPOBSA-N
MW227.69 g/mol
LogP1.48
Rot. Bonds2

About [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol

[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 94405708) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID94405708
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c11-10-12-5-4-9(13-10)14-6-2-1-3-8(14)7-15/h4-5,8,15H,1-3,6-7H2/t8-/m0/s1
InChIKeyIRLIHMRFDBXSPA-QMMMGPOBSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
[(2R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 86329335
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[4-(2-chloropyrimidin-4-yl)thiomorpholin-3-yl]methanol
CID 130951943
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
tert-butyl N-[[1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 71632207
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
[1-(4-aminopyrimidin-2-yl)azepan-2-yl]methanol
CID 116797534
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
[1-[6-(hydroxymethyl)pyridazin-3-yl]piperidin-2-yl]methanol
CID 61407734

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol (CID 94405708) is [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol is OC[C@@H]1CCCCN1c1ccnc(Cl)n1.
What is the InChIKey of [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is IRLIHMRFDBXSPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-10-12-5-4-9(13-10)14-6-2-1-3-8(14)7-15/h4-5,8,15H,1-3,6-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol?
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 227.69 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 94405708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).