1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine

C14H22F2N4O — CID 146093129

IUPAC1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine
SMILESCOCCn1c(C2CCC2)nnc1N1CCCC(F)(F)C1
InChIInChI=1S/C14H22F2N4O/c1-21-9-8-20-12(11-4-2-5-11)17-18-13(20)19-7-3-6-14(15,16)10-19/h11H,2-10H2,1H3
InChIKeyWGYYKKKGWDDIIY-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.43
Rot. Bonds5

About 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine

1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine (PubChem CID 146093129) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine
PubChem CID146093129
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine
SMILESCOCCn1c(C2CCC2)nnc1N1CCCC(F)(F)C1
InChIInChI=1S/C14H22F2N4O/c1-21-9-8-20-12(11-4-2-5-11)17-18-13(20)19-7-3-6-14(15,16)10-19/h11H,2-10H2,1H3
InChIKeyWGYYKKKGWDDIIY-UHFFFAOYSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
9-[4-Methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-6-oxa-9-azaspiro[3.6]decane
CID 138001820
(6S)-8-(5-cyclobutyl-4-ethyl-1,2,4-triazol-3-yl)-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164633704
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
4-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70716883
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250
2-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]ethanamine
CID 81250980
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
cis-3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91766313
4-[[4-methyl-5-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860948
4-[[4-methyl-5-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95860949
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109856764

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine?
The IUPAC name of 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine (CID 146093129) is 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine.
What is the SMILES notation for 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine?
The canonical SMILES for 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine is COCCn1c(C2CCC2)nnc1N1CCCC(F)(F)C1.
What is the InChIKey of 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine?
The InChIKey is WGYYKKKGWDDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-21-9-8-20-12(11-4-2-5-11)17-18-13(20)19-7-3-6-14(15,16)10-19/h11H,2-10H2,1H3.
What are the key properties of 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine?
1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine has a molecular weight of 300.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclobutyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,3-difluoropiperidine is sourced from PubChem (CID 146093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).