4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine

C16H30N4 — CID 46996048

IUPAC4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
SMILESCCCCCN1CCC(n2cc(C(C)(C)C)nn2)CC1
InChIInChI=1S/C16H30N4/c1-5-6-7-10-19-11-8-14(9-12-19)20-13-15(17-18-20)16(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyAQSXWHOTRDVKLB-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine

4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine (PubChem CID 46996048) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
PubChem CID46996048
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
SMILESCCCCCN1CCC(n2cc(C(C)(C)C)nn2)CC1
InChIInChI=1S/C16H30N4/c1-5-6-7-10-19-11-8-14(9-12-19)20-13-15(17-18-20)16(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyAQSXWHOTRDVKLB-UHFFFAOYSA-N
XLogP3.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46990920
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
3-cyclopentyl-1-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]propan-1-one
CID 46992366
4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 47000489
[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 31225171
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
CID 46991997
(4S)-4-(4-tert-butyltriazol-1-yl)-1,2-oxazolidine
CID 165448218
4-butyl-1-octylpiperidine
CID 171570418

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine?
The IUPAC name of 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine (CID 46996048) is 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine.
What is the SMILES notation for 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine?
The canonical SMILES for 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine is CCCCCN1CCC(n2cc(C(C)(C)C)nn2)CC1.
What is the InChIKey of 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine?
The InChIKey is AQSXWHOTRDVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-6-7-10-19-11-8-14(9-12-19)20-13-15(17-18-20)16(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine?
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine has a molecular weight of 278.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine is sourced from PubChem (CID 46996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).