[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol

C20H31N5O2 — CID 70514010

IUPAC[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol
SMILESCC(CCNc1nc(CO)nn1C)Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H31N5O2/c1-16(9-10-21-20-22-19(15-26)23-24(20)2)27-18-8-6-7-17(13-18)14-25-11-4-3-5-12-25/h6-8,13,16,26H,3-5,9-12,14-15H2,1-2H3,(H,21,22,23)
InChIKeyZZPASHFDRDXKFA-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.56
Rot. Bonds9

About [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol

[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol (PubChem CID 70514010) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol
PubChem CID70514010
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol
SMILESCC(CCNc1nc(CO)nn1C)Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H31N5O2/c1-16(9-10-21-20-22-19(15-26)23-24(20)2)27-18-8-6-7-17(13-18)14-25-11-4-3-5-12-25/h6-8,13,16,26H,3-5,9-12,14-15H2,1-2H3,(H,21,22,23)
InChIKeyZZPASHFDRDXKFA-UHFFFAOYSA-N
XLogP2.56
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

3-[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]prop-1-en-2-ol
CID 70433864
1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxamide
CID 12774367
[1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
CID 139797356
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
3-N-(4-chlorophenyl)sulfanyl-1-methyl-5-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine
CID 13490959
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
N-[5-[3-(piperidin-1-ylmethyl)phenoxy]pentan-2-yloxy]acetamide
CID 20567118
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
potassium 2-[4-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]acetate
CID 70484436
[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
CID 10924256

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol (CID 70514010) is [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol is CC(CCNc1nc(CO)nn1C)Oc1cccc(CN2CCCCC2)c1.
What is the InChIKey of [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZZPASHFDRDXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-16(9-10-21-20-22-19(15-26)23-24(20)2)27-18-8-6-7-17(13-18)14-25-11-4-3-5-12-25/h6-8,13,16,26H,3-5,9-12,14-15H2,1-2H3,(H,21,22,23).
What are the key properties of [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol?
[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol has a molecular weight of 373.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 70514010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).