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

C15H28N4O2 — CID 111105319

IUPAC1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCCn1cnnc1C1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C15H28N4O2/c1-4-19-11-16-17-15(19)13-5-7-18(8-6-13)9-14(20)10-21-12(2)3/h11-14,20H,4-10H2,1-3H3
InChIKeyLBSMAEPCMOEMJP-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.26
Rot. Bonds7

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

1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 111105319) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID111105319
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCCn1cnnc1C1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C15H28N4O2/c1-4-19-11-16-17-15(19)13-5-7-18(8-6-13)9-14(20)10-21-12(2)3/h11-14,20H,4-10H2,1-3H3
InChIKeyLBSMAEPCMOEMJP-UHFFFAOYSA-N
XLogP1.26
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110913240
1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105329
1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105326
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133485999
4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
CID 99932002
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490017
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 111105319) is 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CCn1cnnc1C1CCN(CC(O)COC(C)C)CC1.
What is the InChIKey of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is LBSMAEPCMOEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-19-11-16-17-15(19)13-5-7-18(8-6-13)9-14(20)10-21-12(2)3/h11-14,20H,4-10H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111105319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).