(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine

C17H27NO2 — CID 67190399

IUPAC(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
SMILESCCOCCCOC(c1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C17H27NO2/c1-2-19-12-7-13-20-17(15-8-4-3-5-9-15)16-10-6-11-18-14-16/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3/t16-,17?/m1/s1
InChIKeyYSZXJINHHJEGQP-TZHYSIJRSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds8

About (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine

(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine (PubChem CID 67190399) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
PubChem CID67190399
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
SMILESCCOCCCOC(c1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C17H27NO2/c1-2-19-12-7-13-20-17(15-8-4-3-5-9-15)16-10-6-11-18-14-16/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3/t16-,17?/m1/s1
InChIKeyYSZXJINHHJEGQP-TZHYSIJRSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
CID 69468005
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
[cyclohexyl(propoxy)methyl]benzene
CID 155279791
3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
CID 67191204
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
CID 68596518

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine (CID 67190399) is (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine is CCOCCCOC(c1ccccc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine?
The InChIKey is YSZXJINHHJEGQP-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-19-12-7-13-20-17(15-8-4-3-5-9-15)16-10-6-11-18-14-16/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3/t16-,17?/m1/s1.
What are the key properties of (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine?
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine is sourced from PubChem (CID 67190399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).