1-but-3-ynyl-2-propylpiperidine

C12H21N — CID 83061576

IUPAC1-but-3-ynyl-2-propylpiperidine
SMILESC#CCCN1CCCCC1CCC
InChIInChI=1S/C12H21N/c1-3-5-10-13-11-7-6-9-12(13)8-4-2/h1,12H,4-11H2,2H3
InChIKeyLRPPGZAVFIMZLJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds4

About 1-but-3-ynyl-2-propylpiperidine

1-but-3-ynyl-2-propylpiperidine (PubChem CID 83061576) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-but-3-ynyl-2-propylpiperidine.

Molecular Properties

Compound Name1-but-3-ynyl-2-propylpiperidine
PubChem CID83061576
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-but-3-ynyl-2-propylpiperidine
SMILESC#CCCN1CCCCC1CCC
InChIInChI=1S/C12H21N/c1-3-5-10-13-11-7-6-9-12(13)8-4-2/h1,12H,4-11H2,2H3
InChIKeyLRPPGZAVFIMZLJ-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-2-propylpiperidine
CID 54429991
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
1-(2-piperidin-2-ylethyl)-2-propylpiperidine
CID 83055775
1-[2-(2-chloroethoxy)ethyl]-2-propylpiperidine
CID 83061887
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
2-butyl-1-hexylpiperidine
CID 171569565

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-2-propylpiperidine?
The IUPAC name of 1-but-3-ynyl-2-propylpiperidine (CID 83061576) is 1-but-3-ynyl-2-propylpiperidine.
What is the SMILES notation for 1-but-3-ynyl-2-propylpiperidine?
The canonical SMILES for 1-but-3-ynyl-2-propylpiperidine is C#CCCN1CCCCC1CCC.
What is the InChIKey of 1-but-3-ynyl-2-propylpiperidine?
The InChIKey is LRPPGZAVFIMZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-10-13-11-7-6-9-12(13)8-4-2/h1,12H,4-11H2,2H3.
What are the key properties of 1-but-3-ynyl-2-propylpiperidine?
1-but-3-ynyl-2-propylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-2-propylpiperidine is sourced from PubChem (CID 83061576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).