(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

C13H24N4O — CID 95820117

IUPAC(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1cnnc1[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyDMQJZFPJQKXYRK-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds5

About (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine

(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (PubChem CID 95820117) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
PubChem CID95820117
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
SMILESCOCCn1cnnc1[C@@H]1CCCN(C(C)C)C1
InChIInChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyDMQJZFPJQKXYRK-GFCCVEGCSA-N
XLogP1.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
4-(2-methoxyethyl)-3-(1-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 110255440
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894918
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
8-methyl-3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152608
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62711244

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The IUPAC name of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine (CID 95820117) is (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is COCCn1cnnc1[C@@H]1CCCN(C(C)C)C1.
What is the InChIKey of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
The InChIKey is DMQJZFPJQKXYRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)16-6-4-5-12(9-16)13-15-14-10-17(13)7-8-18-3/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine?
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine has a molecular weight of 252.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 95820117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).