(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine

C10H19NO — CID 155266903

IUPAC(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1C[C@@H](OC)CCN1C
InChIInChI=1S/C10H19NO/c1-4-5-9-8-10(12-3)6-7-11(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+/t9?,10-/m0/s1
InChIKeyCICGLOZPBXQONU-VVMSLXPCSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds2

About (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine

(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine (PubChem CID 155266903) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine
PubChem CID155266903
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1C[C@@H](OC)CCN1C
InChIInChI=1S/C10H19NO/c1-4-5-9-8-10(12-3)6-7-11(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+/t9?,10-/m0/s1
InChIKeyCICGLOZPBXQONU-VVMSLXPCSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine?
The IUPAC name of (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine (CID 155266903) is (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine is C/C=C/C1C[C@@H](OC)CCN1C.
What is the InChIKey of (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine?
The InChIKey is CICGLOZPBXQONU-VVMSLXPCSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-9-8-10(12-3)6-7-11(9)2/h4-5,9-10H,6-8H2,1-3H3/b5-4+/t9?,10-/m0/s1.
What are the key properties of (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine?
(4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-1-methyl-2-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 155266903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).