3-methyl-2-propyl-1-prop-2-ynylpiperidine

C12H21N — CID 130735087

IUPAC3-methyl-2-propyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCC(C)C1CCC
InChIInChI=1S/C12H21N/c1-4-7-12-11(3)8-6-10-13(12)9-5-2/h2,11-12H,4,6-10H2,1,3H3
InChIKeyONAZASFZTRWJCV-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.52
Rot. Bonds3

About 3-methyl-2-propyl-1-prop-2-ynylpiperidine

3-methyl-2-propyl-1-prop-2-ynylpiperidine (PubChem CID 130735087) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-methyl-2-propyl-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name3-methyl-2-propyl-1-prop-2-ynylpiperidine
PubChem CID130735087
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-methyl-2-propyl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCCC(C)C1CCC
InChIInChI=1S/C12H21N/c1-4-7-12-11(3)8-6-10-13(12)9-5-2/h2,11-12H,4,6-10H2,1,3H3
InChIKeyONAZASFZTRWJCV-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.52
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

(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
3-methyl-2-propylazepan-1-amine
CID 145095479
2-(2-methylpropyl)-1-prop-2-ynylpyrrolidine
CID 131200239
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
(4aR,8aR)-1-prop-2-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727779
1-but-3-ynyl-2-propylpiperidine
CID 83061576
2-butyl-1,3-dimethylpiperidine
CID 145095316
5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485562
3-propyl-1-prop-2-ynylpyrrolidine
CID 115667587
(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 34180665
(2S)-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 121226761
(3-methyl-2-propylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119809617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-1-prop-2-ynylpiperidine?
The IUPAC name of 3-methyl-2-propyl-1-prop-2-ynylpiperidine (CID 130735087) is 3-methyl-2-propyl-1-prop-2-ynylpiperidine.
What is the SMILES notation for 3-methyl-2-propyl-1-prop-2-ynylpiperidine?
The canonical SMILES for 3-methyl-2-propyl-1-prop-2-ynylpiperidine is C#CCN1CCCC(C)C1CCC.
What is the InChIKey of 3-methyl-2-propyl-1-prop-2-ynylpiperidine?
The InChIKey is ONAZASFZTRWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-12-11(3)8-6-10-13(12)9-5-2/h2,11-12H,4,6-10H2,1,3H3.
What are the key properties of 3-methyl-2-propyl-1-prop-2-ynylpiperidine?
3-methyl-2-propyl-1-prop-2-ynylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-1-prop-2-ynylpiperidine is sourced from PubChem (CID 130735087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).