1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol

C12H23N5O — CID 165452635

IUPAC1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol
SMILESCN(C)CCn1cc(CN2CCC(O)CC2)nn1
InChIInChI=1S/C12H23N5O/c1-15(2)7-8-17-10-11(13-14-17)9-16-5-3-12(18)4-6-16/h10,12,18H,3-9H2,1-2H3
InChIKeyNEDBAQPBYPYGSO-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.20
Rot. Bonds5

About 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol

1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol (PubChem CID 165452635) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol
PubChem CID165452635
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol
SMILESCN(C)CCn1cc(CN2CCC(O)CC2)nn1
InChIInChI=1S/C12H23N5O/c1-15(2)7-8-17-10-11(13-14-17)9-16-5-3-12(18)4-6-16/h10,12,18H,3-9H2,1-2H3
InChIKeyNEDBAQPBYPYGSO-UHFFFAOYSA-N
XLogP-0.20
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol (CID 165452635) is 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol is CN(C)CCn1cc(CN2CCC(O)CC2)nn1.
What is the InChIKey of 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is NEDBAQPBYPYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-15(2)7-8-17-10-11(13-14-17)9-16-5-3-12(18)4-6-16/h10,12,18H,3-9H2,1-2H3.
What are the key properties of 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol?
1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 253.35 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 165452635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).