2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol

C14H26N4O — CID 46991908

IUPAC2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
SMILESCCCCN1CCCC(Cn2cc(CCO)nn2)C1
InChIInChI=1S/C14H26N4O/c1-2-3-7-17-8-4-5-13(10-17)11-18-12-14(6-9-19)15-16-18/h12-13,19H,2-11H2,1H3
InChIKeyOKEQZHQQEODURX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.33
Rot. Bonds7

About 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol

2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol (PubChem CID 46991908) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
PubChem CID46991908
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
SMILESCCCCN1CCCC(Cn2cc(CCO)nn2)C1
InChIInChI=1S/C14H26N4O/c1-2-3-7-17-8-4-5-13(10-17)11-18-12-14(6-9-19)15-16-18/h12-13,19H,2-11H2,1H3
InChIKeyOKEQZHQQEODURX-UHFFFAOYSA-N
XLogP1.33
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 29257050
[(3S)-3-[(4-butyltriazol-1-yl)methyl]piperidin-1-yl]-cycloheptylmethanone
CID 95047345
(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine
CID 163401467
[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
CID 46991997
4-(2-chloroethyl)-1-(cyclobutylmethyl)triazole
CID 65461453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol (CID 46991908) is 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol is CCCCN1CCCC(Cn2cc(CCO)nn2)C1.
What is the InChIKey of 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is OKEQZHQQEODURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-2-3-7-17-8-4-5-13(10-17)11-18-12-14(6-9-19)15-16-18/h12-13,19H,2-11H2,1H3.
What are the key properties of 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 46991908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).