(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol

C10H14ClN3O2 — CID 134706116

IUPAC(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1O
InChIInChI=1S/C10H14ClN3O2/c11-8-3-12-10(13-4-8)14-2-1-9(16)7(5-14)6-15/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9-/m1/s1
InChIKeyPEUZDFOWISFNRL-VXNVDRBHSA-N
MW243.69 g/mol
LogP0.31
Rot. Bonds2

About (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol

(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol (PubChem CID 134706116) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol
PubChem CID134706116
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1O
InChIInChI=1S/C10H14ClN3O2/c11-8-3-12-10(13-4-8)14-2-1-9(16)7(5-14)6-15/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9-/m1/s1
InChIKeyPEUZDFOWISFNRL-VXNVDRBHSA-N
XLogP0.31
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol (CID 134706116) is (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol is OC[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol?
The InChIKey is PEUZDFOWISFNRL-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-3-12-10(13-4-8)14-2-1-9(16)7(5-14)6-15/h3-4,7,9,15-16H,1-2,5-6H2/t7-,9-/m1/s1.
What are the key properties of (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol?
(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol has a molecular weight of 243.69 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 134706116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).