(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C18H27N5O — CID 28739233

IUPAC(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(CN2CCC(Cn3cc([C@H](C)O)nn3)CC2)nc1
InChIInChI=1S/C18H27N5O/c1-3-15-4-5-17(19-10-15)12-22-8-6-16(7-9-22)11-23-13-18(14(2)24)20-21-23/h4-5,10,13-14,16,24H,3,6-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPQZHCOMVPGVGQI-AWEZNQCLSA-N
MW329.45 g/mol
LogP2.20
Rot. Bonds6

About (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 28739233) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID28739233
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCCc1ccc(CN2CCC(Cn3cc([C@H](C)O)nn3)CC2)nc1
InChIInChI=1S/C18H27N5O/c1-3-15-4-5-17(19-10-15)12-22-8-6-16(7-9-22)11-23-13-18(14(2)24)20-21-23/h4-5,10,13-14,16,24H,3,6-9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPQZHCOMVPGVGQI-AWEZNQCLSA-N
XLogP2.20
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 28739230
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45191246
1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45190479
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
1-[1-[[1-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
1-[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154885624
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 28739233) is (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is CCc1ccc(CN2CCC(Cn3cc([C@H](C)O)nn3)CC2)nc1.
What is the InChIKey of (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is PQZHCOMVPGVGQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-15-4-5-17(19-10-15)12-22-8-6-16(7-9-22)11-23-13-18(14(2)24)20-21-23/h4-5,10,13-14,16,24H,3,6-9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
(1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 329.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 28739233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).