4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine

C19H27NO — CID 70660881

IUPAC4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
SMILESc1ccc(N2CCC(OC3C[C@H]4CC[C@@H](C3)C4)CC2)cc1
InChIInChI=1S/C19H27NO/c1-2-4-17(5-3-1)20-10-8-18(9-11-20)21-19-13-15-6-7-16(12-15)14-19/h1-5,15-16,18-19H,6-14H2/t15-,16+,19?
InChIKeyHXFMSBCODFPJFP-MCPYQZEQSA-N
MW285.43 g/mol
LogP4.25
Rot. Bonds3

About 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine

4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine (PubChem CID 70660881) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine.

Molecular Properties

Compound Name4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
PubChem CID70660881
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine
SMILESc1ccc(N2CCC(OC3C[C@H]4CC[C@@H](C3)C4)CC2)cc1
InChIInChI=1S/C19H27NO/c1-2-4-17(5-3-1)20-10-8-18(9-11-20)21-19-13-15-6-7-16(12-15)14-19/h1-5,15-16,18-19H,6-14H2/t15-,16+,19?
InChIKeyHXFMSBCODFPJFP-MCPYQZEQSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171069376
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904
1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171070298
1-phenyl-4-(2,4,6-trifluorophenoxy)piperidine
CID 173058525
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
1-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)cyclobutyl]oxypiperidine
CID 171429573
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 11877898

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine?
The IUPAC name of 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine (CID 70660881) is 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine.
What is the SMILES notation for 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine?
The canonical SMILES for 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine is c1ccc(N2CCC(OC3C[C@H]4CC[C@@H](C3)C4)CC2)cc1.
What is the InChIKey of 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine?
The InChIKey is HXFMSBCODFPJFP-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-4-17(5-3-1)20-10-8-18(9-11-20)21-19-13-15-6-7-16(12-15)14-19/h1-5,15-16,18-19H,6-14H2/t15-,16+,19?.
What are the key properties of 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine?
4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine has a molecular weight of 285.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-1-phenylpiperidine is sourced from PubChem (CID 70660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).