(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol

C12H22N4O — CID 72869925

IUPAC(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESCc1nnc(CN2CC[C@](C)(O)[C@H](C)C2)n1C
InChIInChI=1S/C12H22N4O/c1-9-7-16(6-5-12(9,3)17)8-11-14-13-10(2)15(11)4/h9,17H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKeyIWWDWQVLOCBRMF-SKDRFNHKSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds2

About (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol (PubChem CID 72869925) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol
PubChem CID72869925
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESCc1nnc(CN2CC[C@](C)(O)[C@H](C)C2)n1C
InChIInChI=1S/C12H22N4O/c1-9-7-16(6-5-12(9,3)17)8-11-14-13-10(2)15(11)4/h9,17H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKeyIWWDWQVLOCBRMF-SKDRFNHKSA-N
XLogP0.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol (CID 72869925) is (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol is Cc1nnc(CN2CC[C@](C)(O)[C@H](C)C2)n1C.
What is the InChIKey of (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is IWWDWQVLOCBRMF-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-7-16(6-5-12(9,3)17)8-11-14-13-10(2)15(11)4/h9,17H,5-8H2,1-4H3/t9-,12+/m1/s1.
What are the key properties of (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72869925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).