2,6-dimethyl-1-pent-4-ynylpiperidine

C12H21N — CID 115873069

IUPAC2,6-dimethyl-1-pent-4-ynylpiperidine
SMILESC#CCCCN1C(C)CCCC1C
InChIInChI=1S/C12H21N/c1-4-5-6-10-13-11(2)8-7-9-12(13)3/h1,11-12H,5-10H2,2-3H3
InChIKeyRUEQDGXUAAZOOC-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds3

About 2,6-dimethyl-1-pent-4-ynylpiperidine

2,6-dimethyl-1-pent-4-ynylpiperidine (PubChem CID 115873069) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,6-dimethyl-1-pent-4-ynylpiperidine.

Molecular Properties

Compound Name2,6-dimethyl-1-pent-4-ynylpiperidine
PubChem CID115873069
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,6-dimethyl-1-pent-4-ynylpiperidine
SMILESC#CCCCN1C(C)CCCC1C
InChIInChI=1S/C12H21N/c1-4-5-6-10-13-11(2)8-7-9-12(13)3/h1,11-12H,5-10H2,2-3H3
InChIKeyRUEQDGXUAAZOOC-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methylconiine
CID 169683
N-methyl-N-prop-2-ynylheptan-2-amine;hydrochloride
CID 22416628
1,2,6-Trimethylpiperidine
CID 107328
Hexylamine, N,1-dimethyl-N-2-propynyl-
CID 24315
N-Methyl-N-(prop-2-yn-1-yl)octan-2-amine
CID 26722
Piperidinium, 1,1-diethyl-2,6-dimethyl-, bromide
CID 86823
1-Methyl-2-propylpiperidine
CID 338921
1-Ethyl-2-methylpiperidine
CID 522625
(2S,6S)-1,2,6-trimethylpiperidine
CID 642614
(2R,6S)-1,2,6-trimethylpiperidine
CID 642615
1-(Pent-3-yn-1-yl)piperidine
CID 86082177
1-Methyl-2-(prop-2-yn-1-yl)piperidine
CID 86650157

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-pent-4-ynylpiperidine?
The IUPAC name of 2,6-dimethyl-1-pent-4-ynylpiperidine (CID 115873069) is 2,6-dimethyl-1-pent-4-ynylpiperidine.
What is the SMILES notation for 2,6-dimethyl-1-pent-4-ynylpiperidine?
The canonical SMILES for 2,6-dimethyl-1-pent-4-ynylpiperidine is C#CCCCN1C(C)CCCC1C.
What is the InChIKey of 2,6-dimethyl-1-pent-4-ynylpiperidine?
The InChIKey is RUEQDGXUAAZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-5-6-10-13-11(2)8-7-9-12(13)3/h1,11-12H,5-10H2,2-3H3.
What are the key properties of 2,6-dimethyl-1-pent-4-ynylpiperidine?
2,6-dimethyl-1-pent-4-ynylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-pent-4-ynylpiperidine is sourced from PubChem (CID 115873069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).