(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C16H26N6O — CID 31225344

IUPAC(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCn1cncc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1
InChIInChI=1S/C16H26N6O/c1-3-21-12-17-8-15(21)10-20-6-4-14(5-7-20)9-22-11-16(13(2)23)18-19-22/h8,11-14,23H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHGLSBGDFBDVGJH-ZDUSSCGKSA-N
MW318.43 g/mol
LogP1.46
Rot. Bonds6

About (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 31225344) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID31225344
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCn1cncc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1
InChIInChI=1S/C16H26N6O/c1-3-21-12-17-8-15(21)10-20-6-4-14(5-7-20)9-22-11-16(13(2)23)18-19-22/h8,11-14,23H,3-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyHGLSBGDFBDVGJH-ZDUSSCGKSA-N
XLogP1.46
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(1-{[1-(2-methyl-5-propyl-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)ethanol trifluoroacetate (salt)
CID 45211277
[1-[[1-[(3-Ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154885211
[1-({1-[(1-ethyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28732816
4-[4-(1-Hydroxyethyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylic acid
CID 67954631
(1-Methyl-1H-1,2,3-triazol-5-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 114685151
(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol
CID 130451155
1-[2-Piperidin-4-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]ethanol
CID 141291418
(2,3-Dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 141452762
2-(2-Aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol
CID 145491158
(1R)-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28079075
(1S)-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28079076
(3R)-1-[(1-{[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-3-pyrrolidinol bis(trifluoroacetate) (salt)
CID 30936412

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 31225344) is (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is CCn1cncc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1.
What is the InChIKey of (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is HGLSBGDFBDVGJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-21-12-17-8-15(21)10-20-6-4-14(5-7-20)9-22-11-16(13(2)23)18-19-22/h8,11-14,23H,3-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
(1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 318.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 31225344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).