(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine

C9H17NO2 — CID 170563811

IUPAC(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine
SMILESC=CCO[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C9H17NO2/c1-3-6-12-9-7-10-5-4-8(9)11-2/h3,8-10H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyLWNAJNVKLXWABY-DTWKUNHWSA-N
MW171.24 g/mol
LogP0.57
Rot. Bonds4

About (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine

(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine (PubChem CID 170563811) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine.

Molecular Properties

Compound Name(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine
PubChem CID170563811
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine
SMILESC=CCO[C@@H]1CNCC[C@@H]1OC
InChIInChI=1S/C9H17NO2/c1-3-6-12-9-7-10-5-4-8(9)11-2/h3,8-10H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyLWNAJNVKLXWABY-DTWKUNHWSA-N
XLogP0.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Allyloxymethyl)morpholine
CID 22405612
(3R)-3-prop-2-enoxypiperidine
CID 26191208
(3S)-3-prop-2-enoxypiperidine
CID 26191211
3-(Allyloxy)piperidine
CID 45075369
3-(Allyloxy)piperidine hydrochloride
CID 46735649
(3s)-3-(Allyloxy)piperidine hydrochloride salt
CID 69041856
(3r)-3-(Allyloxy)piperidine hydrochloride salt
CID 69042280
2-[1-(2-Methylprop-2-enoxy)ethyl]morpholine
CID 70372421
2-(1-Methoxyprop-2-enyl)morpholine
CID 70497060
3-Piperidin-3-yloxyprop-1-en-1-one
CID 141000300
(3R,5S)-3-methoxy-5-prop-2-enoxypiperidine
CID 170563825
(3R,4S)-3-but-3-enoxy-4-methoxypiperidine
CID 170563826

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine?
The IUPAC name of (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine (CID 170563811) is (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine.
What is the SMILES notation for (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine?
The canonical SMILES for (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine is C=CCO[C@@H]1CNCC[C@@H]1OC.
What is the InChIKey of (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine?
The InChIKey is LWNAJNVKLXWABY-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-12-9-7-10-5-4-8(9)11-2/h3,8-10H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine?
(3R,4S)-4-methoxy-3-prop-2-enoxypiperidine has a molecular weight of 171.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxy-3-prop-2-enoxypiperidine is sourced from PubChem (CID 170563811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).