1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine

C12H20N4O — CID 168875132

IUPAC1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CN2CCCCC2)n1C[C@@H]1CCO1
InChIInChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2/t11-/m0/s1
InChIKeyGJPCJNDALZLKDT-NSHDSACASA-N
MW236.32 g/mol
LogP1.05
Rot. Bonds4

About 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine

1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 168875132) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID168875132
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CN2CCCCC2)n1C[C@@H]1CCO1
InChIInChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2/t11-/m0/s1
InChIKeyGJPCJNDALZLKDT-NSHDSACASA-N
XLogP1.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine with MolForge

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Related Compounds

(2S)-2-(2-methoxyethyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129619466
(2S)-2-(2-methylpropyl)-4-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]morpholine
CID 164635083
(6S)-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 164637436
4-Cyclopentyloxy-1-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 121536604
2,2-Dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 137988644
8-[[2-(2,2-Difluoroethyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 138001493
4-[2-(5-Methyl-1,2,4-triazol-1-yl)ethyl]-3-propylmorpholine
CID 141027534
(3-Methyl-1,2,4-triazol-1-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 172485919
1-[[4-(Oxetan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 175432717
4-Ethyl-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 177158825
4-[3-(3-Methyl-1,2,4-triazol-4-yl)propyl]morpholine
CID 11672933
4-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine
CID 56740347

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine (CID 168875132) is 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine is c1nnc(CN2CCCCC2)n1C[C@@H]1CCO1.
What is the InChIKey of 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is GJPCJNDALZLKDT-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-15(6-3-1)9-12-14-13-10-16(12)8-11-4-7-17-11/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 236.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(2S)-oxetan-2-yl]methyl]-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 168875132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).