(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine

C14H25NO — CID 138510359

IUPAC(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine
SMILESC=C(/C=C\COC)C[C@H]1[C@@H](C)CCCN1C
InChIInChI=1S/C14H25NO/c1-12(7-6-10-16-4)11-14-13(2)8-5-9-15(14)3/h6-7,13-14H,1,5,8-11H2,2-4H3/b7-6-/t13-,14-/m0/s1
InChIKeyAOMACYDEIZYSCU-KFBXHMBNSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds5

About (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine

(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine (PubChem CID 138510359) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine
PubChem CID138510359
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine
SMILESC=C(/C=C\COC)C[C@H]1[C@@H](C)CCCN1C
InChIInChI=1S/C14H25NO/c1-12(7-6-10-16-4)11-14-13(2)8-5-9-15(14)3/h6-7,13-14H,1,5,8-11H2,2-4H3/b7-6-/t13-,14-/m0/s1
InChIKeyAOMACYDEIZYSCU-KFBXHMBNSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine?
The IUPAC name of (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine (CID 138510359) is (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine.
What is the SMILES notation for (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine?
The canonical SMILES for (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine is C=C(/C=C\COC)C[C@H]1[C@@H](C)CCCN1C.
What is the InChIKey of (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine?
The InChIKey is AOMACYDEIZYSCU-KFBXHMBNSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(7-6-10-16-4)11-14-13(2)8-5-9-15(14)3/h6-7,13-14H,1,5,8-11H2,2-4H3/b7-6-/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine?
(2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine has a molecular weight of 223.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(Z)-5-methoxy-2-methylidenepent-3-enyl]-1,3-dimethylpiperidine is sourced from PubChem (CID 138510359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).