(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine

C10H19NO — CID 101209022

IUPAC(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine
SMILESCOC/C=C\[C@@H]1CCCCN1C
InChIInChI=1S/C10H19NO/c1-11-8-4-3-6-10(11)7-5-9-12-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5-/t10-/m0/s1
InChIKeySJLBJKOIRYUQHS-BXKUYDPTSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine

(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine (PubChem CID 101209022) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine
PubChem CID101209022
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine
SMILESCOC/C=C\[C@@H]1CCCCN1C
InChIInChI=1S/C10H19NO/c1-11-8-4-3-6-10(11)7-5-9-12-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5-/t10-/m0/s1
InChIKeySJLBJKOIRYUQHS-BXKUYDPTSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine?
The IUPAC name of (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine (CID 101209022) is (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine.
What is the SMILES notation for (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine?
The canonical SMILES for (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine is COC/C=C\[C@@H]1CCCCN1C.
What is the InChIKey of (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine?
The InChIKey is SJLBJKOIRYUQHS-BXKUYDPTSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-8-4-3-6-10(11)7-5-9-12-2/h5,7,10H,3-4,6,8-9H2,1-2H3/b7-5-/t10-/m0/s1.
What are the key properties of (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine?
(2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(Z)-3-methoxyprop-1-enyl]-1-methylpiperidine is sourced from PubChem (CID 101209022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).