3-(3-methylbut-1-ynyl)piperidine

C10H17N — CID 118967292

IUPAC3-(3-methylbut-1-ynyl)piperidine
SMILESCC(C)C#CC1CCCNC1
InChIInChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-4,7-8H2,1-2H3
InChIKeyDHWBWNRHBXTDOR-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.65
Rot. Bonds

About 3-(3-methylbut-1-ynyl)piperidine

3-(3-methylbut-1-ynyl)piperidine (PubChem CID 118967292) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(3-methylbut-1-ynyl)piperidine.

Molecular Properties

Compound Name3-(3-methylbut-1-ynyl)piperidine
PubChem CID118967292
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-(3-methylbut-1-ynyl)piperidine
SMILESCC(C)C#CC1CCCNC1
InChIInChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-4,7-8H2,1-2H3
InChIKeyDHWBWNRHBXTDOR-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-3-ylprop-2-ynal
CID 117265475
(3R)-3-ethynylpiperidine
CID 86307646
piperidine-3-carbonitrile;hydrochloride
CID 53400639
3-(2-phenylethynyl)piperidine
CID 71302817
1-(3-piperidin-3-ylprop-2-ynyl)piperazine
CID 117269532
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
4-(3-piperidin-3-ylprop-2-ynyl)aniline
CID 54247628
(3R)-3-tert-butylpiperidine
CID 59772800
2-[2-[(3S)-piperidin-3-yl]ethynyl]quinazoline
CID 90762543
2-[2-[(3R)-piperidin-3-yl]ethynyl]quinazoline
CID 91162237
3-[2-(3-chlorophenyl)ethynyl]piperidine
CID 141169044

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-1-ynyl)piperidine?
The IUPAC name of 3-(3-methylbut-1-ynyl)piperidine (CID 118967292) is 3-(3-methylbut-1-ynyl)piperidine.
What is the SMILES notation for 3-(3-methylbut-1-ynyl)piperidine?
The canonical SMILES for 3-(3-methylbut-1-ynyl)piperidine is CC(C)C#CC1CCCNC1.
What is the InChIKey of 3-(3-methylbut-1-ynyl)piperidine?
The InChIKey is DHWBWNRHBXTDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-methylbut-1-ynyl)piperidine?
3-(3-methylbut-1-ynyl)piperidine has a molecular weight of 151.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-ynyl)piperidine is sourced from PubChem (CID 118967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).