[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol

C12H22N4O — CID 118230668

IUPAC[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)N1CCC(n2cnnc2CO)CC1
InChIInChI=1S/C12H22N4O/c1-12(2,3)15-6-4-10(5-7-15)16-9-13-14-11(16)8-17/h9-10,17H,4-8H2,1-3H3
InChIKeyVMJBUWWUFYYFKC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds2

About [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol

[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 118230668) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID118230668
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(C)N1CCC(n2cnnc2CO)CC1
InChIInChI=1S/C12H22N4O/c1-12(2,3)15-6-4-10(5-7-15)16-9-13-14-11(16)8-17/h9-10,17H,4-8H2,1-3H3
InChIKeyVMJBUWWUFYYFKC-UHFFFAOYSA-N
XLogP1.21
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
(3S*,4S*)-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
CID 77078671
2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
CID 164634157
4-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 57708392
4-[3-(Hydroxymethyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylic acid
CID 68745137
[4-(1-Methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
CID 81665438
1-Tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 118230662
1-Tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
CID 118230663
4-[3-(Methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 118232809
Ethane;[4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
CID 144883536
Ethane;4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]-1-methylpiperidine
CID 144883607

Frequently Asked Questions

What is the IUPAC name of [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol (CID 118230668) is [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol is CC(C)(C)N1CCC(n2cnnc2CO)CC1.
What is the InChIKey of [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VMJBUWWUFYYFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)15-6-4-10(5-7-15)16-9-13-14-11(16)8-17/h9-10,17H,4-8H2,1-3H3.
What are the key properties of [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol?
[4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 118230668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).