(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine

C13H23N — CID 153319004

IUPAC(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1CC#CC(C)(C)C
InChIInChI=1S/C13H23N/c1-12-8-5-6-10-14(12)11-7-9-13(2,3)4/h12H,5-6,8,10-11H2,1-4H3/t12-/m1/s1
InChIKeyPKQZDSATKNSWDR-GFCCVEGCSA-N
MW193.33 g/mol
LogP2.91
Rot. Bonds1

About (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine

(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine (PubChem CID 153319004) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine
PubChem CID153319004
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1CC#CC(C)(C)C
InChIInChI=1S/C13H23N/c1-12-8-5-6-10-14(12)11-7-9-13(2,3)4/h12H,5-6,8,10-11H2,1-4H3/t12-/m1/s1
InChIKeyPKQZDSATKNSWDR-GFCCVEGCSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.91
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-Ethyl-2-methylpiperidine
CID 522625
1-(Pent-3-yn-1-yl)piperidine
CID 86082177
1-Methyl-2-(prop-2-yn-1-yl)piperidine
CID 86650157
1-Methyl-1-oct-2-ynylpiperidin-1-ium iodide
CID 53324298
Piperidine, 1-butyl-2-methyl
CID 6428880
Piperidine, 1-hexyl-2-methyl
CID 6428888
Piperidine, 2-methyl-1-pentyl
CID 6428893
1-(Hept-2-yn-1-yl)piperidine
CID 12471208
1-(4,4-Dimethyl-2-pentyn-1-yl)piperidine
CID 12471210
2-(But-3-yn-1-yl)-1-methylpiperidine
CID 145869411
1-Pent-2-ynylpiperidine
CID 21354788
Methyl(isopropyl)piperidin
CID 21721030

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine?
The IUPAC name of (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine (CID 153319004) is (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine?
The canonical SMILES for (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine is C[C@@H]1CCCCN1CC#CC(C)(C)C.
What is the InChIKey of (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine?
The InChIKey is PKQZDSATKNSWDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N/c1-12-8-5-6-10-14(12)11-7-9-13(2,3)4/h12H,5-6,8,10-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine?
(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine has a molecular weight of 193.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine is sourced from PubChem (CID 153319004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).