2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol

C18H26N4O2 — CID 50963524

IUPAC2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1cnnc1CC1CCN(Cc2ccccc2OCCO)CC1
InChIInChI=1S/C18H26N4O2/c1-21-14-19-20-18(21)12-15-6-8-22(9-7-15)13-16-4-2-3-5-17(16)24-11-10-23/h2-5,14-15,23H,6-13H2,1H3
InChIKeyOVULYGBERPXXCF-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.64
Rot. Bonds7

About 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol

2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 50963524) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID50963524
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1cnnc1CC1CCN(Cc2ccccc2OCCO)CC1
InChIInChI=1S/C18H26N4O2/c1-21-14-19-20-18(21)12-15-6-8-22(9-7-15)13-16-4-2-3-5-17(16)24-11-10-23/h2-5,14-15,23H,6-13H2,1H3
InChIKeyOVULYGBERPXXCF-UHFFFAOYSA-N
XLogP1.64
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
CID 50958934
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771128
2,4-dichloro-6-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
CID 50968839
1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 70718993
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
CID 154868718
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56910309
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol (CID 50963524) is 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol is Cn1cnnc1CC1CCN(Cc2ccccc2OCCO)CC1.
What is the InChIKey of 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is OVULYGBERPXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-14-19-20-18(21)12-15-6-8-22(9-7-15)13-16-4-2-3-5-17(16)24-11-10-23/h2-5,14-15,23H,6-13H2,1H3.
What are the key properties of 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol?
2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 330.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 50963524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).