(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol

C10H14ClN3O — CID 129381023

IUPAC(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2cc(Cl)ncn2)CC[C@@H]1O
InChIInChI=1S/C10H14ClN3O/c1-7-5-14(3-2-8(7)15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3/t7-,8-/m0/s1
InChIKeyJFAQYBIQZWTDRS-YUMQZZPRSA-N
MW227.69 g/mol
LogP1.34
Rot. Bonds1

About (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol

(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 129381023) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID129381023
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2cc(Cl)ncn2)CC[C@@H]1O
InChIInChI=1S/C10H14ClN3O/c1-7-5-14(3-2-8(7)15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3/t7-,8-/m0/s1
InChIKeyJFAQYBIQZWTDRS-YUMQZZPRSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 129381023) is (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol is C[C@H]1CN(c2cc(Cl)ncn2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is JFAQYBIQZWTDRS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-14(3-2-8(7)15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-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,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 129381023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).