(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine

C19H29NO2 — CID 2182848

IUPAC(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
SMILESC=CCc1ccc(OCCCN2CCC[C@H](C)C2)c(OC)c1
InChIInChI=1S/C19H29NO2/c1-4-7-17-9-10-18(19(14-17)21-3)22-13-6-12-20-11-5-8-16(2)15-20/h4,9-10,14,16H,1,5-8,11-13,15H2,2-3H3/t16-/m0/s1
InChIKeyYIWVKPIIIXLBSB-INIZCTEOSA-N
MW303.45 g/mol
LogP3.92
Rot. Bonds8

About (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine

(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine (PubChem CID 2182848) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
PubChem CID2182848
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
SMILESC=CCc1ccc(OCCCN2CCC[C@H](C)C2)c(OC)c1
InChIInChI=1S/C19H29NO2/c1-4-7-17-9-10-18(19(14-17)21-3)22-13-6-12-20-11-5-8-16(2)15-20/h4,9-10,14,16H,1,5-8,11-13,15H2,2-3H3/t16-/m0/s1
InChIKeyYIWVKPIIIXLBSB-INIZCTEOSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-3,5-dimethylpiperidine
CID 7413062
(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2184926
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115
(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]azepane;oxalic acid
CID 2944725
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2966288
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine (CID 2182848) is (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine is C=CCc1ccc(OCCCN2CCC[C@H](C)C2)c(OC)c1.
What is the InChIKey of (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine?
The InChIKey is YIWVKPIIIXLBSB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-7-17-9-10-18(19(14-17)21-3)22-13-6-12-20-11-5-8-16(2)15-20/h4,9-10,14,16H,1,5-8,11-13,15H2,2-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine?
(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine has a molecular weight of 303.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 2182848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).