(3R)-3-[(4-propoxyphenoxy)methyl]piperidine

C15H23NO2 — CID 86322824

IUPAC(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
SMILESCCCOc1ccc(OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-10-17-14-5-7-15(8-6-14)18-12-13-4-3-9-16-11-13/h5-8,13,16H,2-4,9-12H2,1H3/t13-/m1/s1
InChIKeyHPSHSJSRPNOVHM-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds6

About (3R)-3-[(4-propoxyphenoxy)methyl]piperidine

(3R)-3-[(4-propoxyphenoxy)methyl]piperidine (PubChem CID 86322824) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3R)-3-[(4-propoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
PubChem CID86322824
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
SMILESCCCOc1ccc(OC[C@@H]2CCCNC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-10-17-14-5-7-15(8-6-14)18-12-13-4-3-9-16-11-13/h5-8,13,16H,2-4,9-12H2,1H3/t13-/m1/s1
InChIKeyHPSHSJSRPNOVHM-CYBMUJFWSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[[4-[(2R)-butan-2-yl]phenoxy]methyl]piperidine
CID 26190819
3-(4-propoxyphenoxy)piperidine
CID 53409332
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-propoxyphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-propoxyphenoxy)methyl]piperidine (CID 86322824) is (3R)-3-[(4-propoxyphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-propoxyphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-propoxyphenoxy)methyl]piperidine is CCCOc1ccc(OC[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[(4-propoxyphenoxy)methyl]piperidine?
The InChIKey is HPSHSJSRPNOVHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-10-17-14-5-7-15(8-6-14)18-12-13-4-3-9-16-11-13/h5-8,13,16H,2-4,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-propoxyphenoxy)methyl]piperidine?
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-propoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 86322824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).