ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate

C17H25NO2 — CID 95220722

IUPACethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(CCCc2ccccc2)CCCNC1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)17(12-7-13-18-14-17)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,18H,2,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyKHMUPZPLNLZPJC-QGZVFWFLSA-N
MW275.39 g/mol
LogP2.94
Rot. Bonds6

About ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate

ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate (PubChem CID 95220722) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
PubChem CID95220722
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(CCCc2ccccc2)CCCNC1
InChIInChI=1S/C17H25NO2/c1-2-20-16(19)17(12-7-13-18-14-17)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,18H,2,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyKHMUPZPLNLZPJC-QGZVFWFLSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate (CID 95220722) is ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate is CCOC(=O)[C@]1(CCCc2ccccc2)CCCNC1.
What is the InChIKey of ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate?
The InChIKey is KHMUPZPLNLZPJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16(19)17(12-7-13-18-14-17)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,18H,2,6-7,10-14H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate?
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 95220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).