(2R)-5-ethynyl-2-methylpiperidine

C8H13N — CID 145069795

IUPAC(2R)-5-ethynyl-2-methylpiperidine
SMILESC#CC1CC[C@@H](C)NC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h1,7-9H,4-6H2,2H3/t7-,8?/m1/s1
InChIKeyNRYPXEATMJWJOG-GVHYBUMESA-N
MW123.20 g/mol
LogP1.01
Rot. Bonds

About (2R)-5-ethynyl-2-methylpiperidine

(2R)-5-ethynyl-2-methylpiperidine (PubChem CID 145069795) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R)-5-ethynyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-5-ethynyl-2-methylpiperidine
PubChem CID145069795
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R)-5-ethynyl-2-methylpiperidine
SMILESC#CC1CC[C@@H](C)NC1
InChIInChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h1,7-9H,4-6H2,2H3/t7-,8?/m1/s1
InChIKeyNRYPXEATMJWJOG-GVHYBUMESA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethylpiperidine
CID 95359
2,4-Dimethylpiperidine
CID 95423
2,5-Dimethylpiperidine
CID 524018
2,4-Dimethylpiperidine, trans-
CID 7229998
(2S,4S)-2,4-dimethylpiperidine
CID 7230000
2,3-Dimethylpiperidine, cis-
CID 6993947
3-(Prop-2-yn-1-yl)piperidine
CID 15132189
3-Ethynylpiperidine hydrochloride
CID 53401123
(2S,5S)-2,5-dimethylpiperidine
CID 6427442
rel-(2R,5S)-2,5-Dimethylpiperidine
CID 12423876
(2S)-2-ethynylpiperidine
CID 14502697
(2R,4R)-2,4-dimethylpiperidine
CID 6993569

Frequently Asked Questions

What is the IUPAC name of (2R)-5-ethynyl-2-methylpiperidine?
The IUPAC name of (2R)-5-ethynyl-2-methylpiperidine (CID 145069795) is (2R)-5-ethynyl-2-methylpiperidine.
What is the SMILES notation for (2R)-5-ethynyl-2-methylpiperidine?
The canonical SMILES for (2R)-5-ethynyl-2-methylpiperidine is C#CC1CC[C@@H](C)NC1.
What is the InChIKey of (2R)-5-ethynyl-2-methylpiperidine?
The InChIKey is NRYPXEATMJWJOG-GVHYBUMESA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-7(2)9-6-8/h1,7-9H,4-6H2,2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-5-ethynyl-2-methylpiperidine?
(2R)-5-ethynyl-2-methylpiperidine has a molecular weight of 123.20 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-ethynyl-2-methylpiperidine is sourced from PubChem (CID 145069795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).