(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine

C10H19N — CID 102326183

IUPAC(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
SMILESC=C[C@@H](C)[C@@H]1CCCCN1C
InChIInChI=1S/C10H19N/c1-4-9(2)10-7-5-6-8-11(10)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyIWZYIDPMNVCUDN-ZJUUUORDSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine

(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine (PubChem CID 102326183) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
PubChem CID102326183
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
SMILESC=C[C@@H](C)[C@@H]1CCCCN1C
InChIInChI=1S/C10H19N/c1-4-9(2)10-7-5-6-8-11(10)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyIWZYIDPMNVCUDN-ZJUUUORDSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
CID 130241849
2-(difluoromethyl)-1-methylazepane
CID 123397217
1-methyl-2-(2-methylpentan-3-yl)piperidine
CID 167033020
(2R)-2-[(1R)-1-(diiodomethoxy)prop-2-enyl]-1-methylpyrrolidine
CID 167139875
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
prop-2-enyl (2R,3R)-3-hydroxy-2-methyl-3-(1-methylpyrrolidin-2-yl)propanoate
CID 137383412
1-(1-methylpyrrolidin-2-yl)ethyl prop-2-enoate
CID 175306856
3-but-3-en-2-ylazepan-2-one
CID 104679572
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-[(2R)-but-3-en-2-yl]cyclopentan-1-one
CID 134840433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine?
The IUPAC name of (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine (CID 102326183) is (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine.
What is the SMILES notation for (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine?
The canonical SMILES for (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine is C=C[C@@H](C)[C@@H]1CCCCN1C.
What is the InChIKey of (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine?
The InChIKey is IWZYIDPMNVCUDN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9(2)10-7-5-6-8-11(10)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine?
(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine is sourced from PubChem (CID 102326183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).