(2R)-1-but-2-ynyl-2-methylpiperidine

C10H17N — CID 142317650

IUPAC(2R)-1-but-2-ynyl-2-methylpiperidine
SMILESCC#CCN1CCCC[C@H]1C
InChIInChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h10H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyCAXWWTSASOVMGC-SNVBAGLBSA-N
MW151.25 g/mol
LogP1.88
Rot. Bonds1

About (2R)-1-but-2-ynyl-2-methylpiperidine

(2R)-1-but-2-ynyl-2-methylpiperidine (PubChem CID 142317650) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2R)-1-but-2-ynyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-but-2-ynyl-2-methylpiperidine
PubChem CID142317650
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2R)-1-but-2-ynyl-2-methylpiperidine
SMILESCC#CCN1CCCC[C@H]1C
InChIInChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h10H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyCAXWWTSASOVMGC-SNVBAGLBSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.88
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-(3-methylsulfanylprop-2-ynyl)piperidine
CID 146334874
(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine
CID 153319004
(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
(2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidine
CID 26412043
2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
(2-methylpiperidin-1-yl)methanol
CID 67262865
ethane;1-ethyl-2-methylazepane
CID 145020951
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
1-(1-but-2-ynylpyrrolidin-2-yl)propan-2-ol
CID 115758860
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351

Frequently Asked Questions

What is the IUPAC name of (2R)-1-but-2-ynyl-2-methylpiperidine?
The IUPAC name of (2R)-1-but-2-ynyl-2-methylpiperidine (CID 142317650) is (2R)-1-but-2-ynyl-2-methylpiperidine.
What is the SMILES notation for (2R)-1-but-2-ynyl-2-methylpiperidine?
The canonical SMILES for (2R)-1-but-2-ynyl-2-methylpiperidine is CC#CCN1CCCC[C@H]1C.
What is the InChIKey of (2R)-1-but-2-ynyl-2-methylpiperidine?
The InChIKey is CAXWWTSASOVMGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-8-11-9-6-5-7-10(11)2/h10H,5-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-but-2-ynyl-2-methylpiperidine?
(2R)-1-but-2-ynyl-2-methylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-but-2-ynyl-2-methylpiperidine is sourced from PubChem (CID 142317650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).