(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine

C17H27NO2 — CID 2300052

IUPAC(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
SMILESCCOc1ccccc1OCCCN1CCC[C@H](C)C1
InChIInChI=1S/C17H27NO2/c1-3-19-16-9-4-5-10-17(16)20-13-7-12-18-11-6-8-15(2)14-18/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyCCUXRNLEULXPHR-HNNXBMFYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds7

About (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine

(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine (PubChem CID 2300052) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
PubChem CID2300052
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
SMILESCCOc1ccccc1OCCCN1CCC[C@H](C)C1
InChIInChI=1S/C17H27NO2/c1-3-19-16-9-4-5-10-17(16)20-13-7-12-18-11-6-8-15(2)14-18/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyCCUXRNLEULXPHR-HNNXBMFYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
1-[[2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]methyl]azetidin-3-ol
CID 99933820
3-ethoxy-4-[4-[(3R)-3-methylpiperidin-1-yl]butoxy]benzaldehyde
CID 7379385
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
(3R)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidine
CID 27243155
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
CID 2297150
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
3-methyl-1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidine;oxalic acid
CID 2934743

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine (CID 2300052) is (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine is CCOc1ccccc1OCCCN1CCC[C@H](C)C1.
What is the InChIKey of (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine?
The InChIKey is CCUXRNLEULXPHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-16-9-4-5-10-17(16)20-13-7-12-18-11-6-8-15(2)14-18/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine?
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 2300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).