(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol

C8H14N4O — CID 130486903

IUPAC(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol
SMILESCn1nncc1N1CCC[C@H](O)C1
InChIInChI=1S/C8H14N4O/c1-11-8(5-9-10-11)12-4-2-3-7(13)6-12/h5,7,13H,2-4,6H2,1H3/t7-/m0/s1
InChIKeySWNCPWMAYHETIW-ZETCQYMHSA-N
MW182.23 g/mol
LogP-0.22
Rot. Bonds1

About (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol

(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol (PubChem CID 130486903) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol
PubChem CID130486903
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol
SMILESCn1nncc1N1CCC[C@H](O)C1
InChIInChI=1S/C8H14N4O/c1-11-8(5-9-10-11)12-4-2-3-7(13)6-12/h5,7,13H,2-4,6H2,1H3/t7-/m0/s1
InChIKeySWNCPWMAYHETIW-ZETCQYMHSA-N
XLogP-0.22
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol (CID 130486903) is (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol is Cn1nncc1N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol?
The InChIKey is SWNCPWMAYHETIW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-8(5-9-10-11)12-4-2-3-7(13)6-12/h5,7,13H,2-4,6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol?
(3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol has a molecular weight of 182.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-methyltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 130486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).