4-piperidin-3-ylbut-2-yn-1-amine

C9H16N2 — CID 117265146

IUPAC4-piperidin-3-ylbut-2-yn-1-amine
SMILESNCC#CCC1CCCNC1
InChIInChI=1S/C9H16N2/c10-6-2-1-4-9-5-3-7-11-8-9/h9,11H,3-8,10H2
InChIKeyUVCSXVIPEIYTKI-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.34
Rot. Bonds1

About 4-piperidin-3-ylbut-2-yn-1-amine

4-piperidin-3-ylbut-2-yn-1-amine (PubChem CID 117265146) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-piperidin-3-ylbut-2-yn-1-amine.

Molecular Properties

Compound Name4-piperidin-3-ylbut-2-yn-1-amine
PubChem CID117265146
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-piperidin-3-ylbut-2-yn-1-amine
SMILESNCC#CCC1CCCNC1
InChIInChI=1S/C9H16N2/c10-6-2-1-4-9-5-3-7-11-8-9/h9,11H,3-8,10H2
InChIKeyUVCSXVIPEIYTKI-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
3-pyrrolidin-3-ylprop-2-yn-1-amine
CID 117265022
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3-[(dihydroxyamino)oxymethyl]piperidine
CID 67976448
3-(methylsulfanylmethyl)piperidine
CID 22276228
piperidin-3-amine;hydrate
CID 90355910
(3S)-piperidin-3-amine;hydrate
CID 90355913
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
9-[3-(azepan-3-yl)prop-1-ynyl]fluoren-9-ol
CID 22301281

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylbut-2-yn-1-amine?
The IUPAC name of 4-piperidin-3-ylbut-2-yn-1-amine (CID 117265146) is 4-piperidin-3-ylbut-2-yn-1-amine.
What is the SMILES notation for 4-piperidin-3-ylbut-2-yn-1-amine?
The canonical SMILES for 4-piperidin-3-ylbut-2-yn-1-amine is NCC#CCC1CCCNC1.
What is the InChIKey of 4-piperidin-3-ylbut-2-yn-1-amine?
The InChIKey is UVCSXVIPEIYTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-6-2-1-4-9-5-3-7-11-8-9/h9,11H,3-8,10H2.
What are the key properties of 4-piperidin-3-ylbut-2-yn-1-amine?
4-piperidin-3-ylbut-2-yn-1-amine has a molecular weight of 152.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylbut-2-yn-1-amine is sourced from PubChem (CID 117265146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).