1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol

C12H18ClN5O — CID 55125087

IUPAC1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C12H18ClN5O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-9(19)8-18/h9,19H,1-8H2
InChIKeyUFMREIKYPVDENF-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.09
Rot. Bonds2

About 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol

1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol (PubChem CID 55125087) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
PubChem CID55125087
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol
SMILESOC1CCCN(c2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C12H18ClN5O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-9(19)8-18/h9,19H,1-8H2
InChIKeyUFMREIKYPVDENF-UHFFFAOYSA-N
XLogP1.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The IUPAC name of 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol (CID 55125087) is 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol is OC1CCCN(c2nc(Cl)nc(N3CCCC3)n2)C1.
What is the InChIKey of 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
The InChIKey is UFMREIKYPVDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18-7-3-4-9(19)8-18/h9,19H,1-8H2.
What are the key properties of 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol?
1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol has a molecular weight of 283.76 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)piperidin-3-ol is sourced from PubChem (CID 55125087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).