4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine

C16H28N4 — CID 46991997

IUPAC4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C16H28N4/c1-2-3-4-9-19-10-7-14(8-11-19)12-20-13-16(17-18-20)15-5-6-15/h13-15H,2-12H2,1H3
InChIKeyJYKDQKVQZPJNHH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.06
Rot. Bonds7

About 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine

4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine (PubChem CID 46991997) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine.

Molecular Properties

Compound Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
PubChem CID46991997
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine
SMILESCCCCCN1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C16H28N4/c1-2-3-4-9-19-10-7-14(8-11-19)12-20-13-16(17-18-20)15-5-6-15/h13-15H,2-12H2,1H3
InChIKeyJYKDQKVQZPJNHH-UHFFFAOYSA-N
XLogP3.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.06
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

N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
CID 74610335
(2S,3S)-2-amino-1-[4-[(4-cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-3-methylpentan-1-one
CID 46994272
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
1-[(1-methylpiperidin-4-yl)methyl]-4-pentylpiperazine
CID 171070413
4-cyclopropyl-1-(3-methylbutyl)triazole
CID 139426325
4-butyl-1-octylpiperidine
CID 171570418
2-(1-pentylpiperidin-4-yl)acetaldehyde
CID 88843221
4-(4-tert-butyltriazol-1-yl)-1-pentylpiperidine
CID 46996048
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]triazole-4-carboxylic acid
CID 129494832
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
ethane;1-pentylpiperidin-4-amine
CID 142516102

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine?
The IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine (CID 46991997) is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine.
What is the SMILES notation for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine?
The canonical SMILES for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine is CCCCCN1CCC(Cn2cc(C3CC3)nn2)CC1.
What is the InChIKey of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine?
The InChIKey is JYKDQKVQZPJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-3-4-9-19-10-7-14(8-11-19)12-20-13-16(17-18-20)15-5-6-15/h13-15H,2-12H2,1H3.
What are the key properties of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine?
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine has a molecular weight of 276.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-pentylpiperidine is sourced from PubChem (CID 46991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).