1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C18H33N5O — CID 110913240

IUPAC1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCCn1cnnc1C1CCCN(CC(O)CN2CCC(C)CC2)C1
InChIInChI=1S/C18H33N5O/c1-3-23-14-19-20-18(23)16-5-4-8-22(11-16)13-17(24)12-21-9-6-15(2)7-10-21/h14-17,24H,3-13H2,1-2H3
InChIKeyDHUQSAZZQSOZIH-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.57
Rot. Bonds6

About 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110913240) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110913240
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCCn1cnnc1C1CCCN(CC(O)CN2CCC(C)CC2)C1
InChIInChI=1S/C18H33N5O/c1-3-23-14-19-20-18(23)16-5-4-8-22(11-16)13-17(24)12-21-9-6-15(2)7-10-21/h14-17,24H,3-13H2,1-2H3
InChIKeyDHUQSAZZQSOZIH-UHFFFAOYSA-N
XLogP1.57
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110913240) is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is CCn1cnnc1C1CCCN(CC(O)CN2CCC(C)CC2)C1.
What is the InChIKey of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is DHUQSAZZQSOZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-3-23-14-19-20-18(23)16-5-4-8-22(11-16)13-17(24)12-21-9-6-15(2)7-10-21/h14-17,24H,3-13H2,1-2H3.
What are the key properties of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 335.50 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110913240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).