(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine

C17H25NO — CID 67190238

IUPAC(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
SMILESc1ccc(C(OCCC2CC2)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C17H25NO/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14/h1-3,5-6,14,16-18H,4,7-13H2/t16-,17?/m1/s1
InChIKeyOYXYEPGEWFYRGA-TZHYSIJRSA-N
MW259.39 g/mol
LogP3.54
Rot. Bonds6

About (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine

(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine (PubChem CID 67190238) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
PubChem CID67190238
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
SMILESc1ccc(C(OCCC2CC2)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C17H25NO/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14/h1-3,5-6,14,16-18H,4,7-13H2/t16-,17?/m1/s1
InChIKeyOYXYEPGEWFYRGA-TZHYSIJRSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
(3R)-3-[(R)-2-cyclopropylethoxy(phenyl)methyl]piperidine;(2S)-2-[(1S)-5-methoxy-1-phenylpentyl]morpholine;(1S)-4-methoxy-1-phenyl-1-[(3R)-piperidin-3-yl]butan-1-ol
CID 157458610
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
[cyclohexyl(propoxy)methyl]benzene
CID 155279791
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine (CID 67190238) is (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine is c1ccc(C(OCCC2CC2)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine?
The InChIKey is OYXYEPGEWFYRGA-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-5-15(6-3-1)17(16-7-4-11-18-13-16)19-12-10-14-8-9-14/h1-3,5-6,14,16-18H,4,7-13H2/t16-,17?/m1/s1.
What are the key properties of (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine?
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine is sourced from PubChem (CID 67190238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).