(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol

C15H19ClN4O — CID 168826760

IUPAC(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2cccc(Cl)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C15H19ClN4O/c1-10-7-15(21,11-4-3-5-12(16)6-11)8-13(17-10)14-9-20(2)19-18-14/h3-6,9-10,13,17,21H,7-8H2,1-2H3/t10-,13-,15-/m0/s1
InChIKeyYBOQDFXWHHQPFU-XEGUGMAKSA-N
MW306.80 g/mol
LogP2.17
Rot. Bonds2

About (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol

(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (PubChem CID 168826760) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
PubChem CID168826760
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2cccc(Cl)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C15H19ClN4O/c1-10-7-15(21,11-4-3-5-12(16)6-11)8-13(17-10)14-9-20(2)19-18-14/h3-6,9-10,13,17,21H,7-8H2,1-2H3/t10-,13-,15-/m0/s1
InChIKeyYBOQDFXWHHQPFU-XEGUGMAKSA-N
XLogP2.17
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol (CID 168826760) is (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is C[C@H]1C[C@@](O)(c2cccc(Cl)c2)C[C@@H](c2cn(C)nn2)N1.
What is the InChIKey of (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
The InChIKey is YBOQDFXWHHQPFU-XEGUGMAKSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-7-15(21,11-4-3-5-12(16)6-11)8-13(17-10)14-9-20(2)19-18-14/h3-6,9-10,13,17,21H,7-8H2,1-2H3/t10-,13-,15-/m0/s1.
What are the key properties of (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol?
(2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol has a molecular weight of 306.80 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-4-(3-chlorophenyl)-2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 168826760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).