ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride

C14H20ClNO2 — CID 53444519

IUPACethyl 4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H
InChIKeyBBWMASBANDIFMV-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.29
Rot. Bonds3

About ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride

ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride (PubChem CID 53444519) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-phenylpiperidine-4-carboxylate;hydrochloride
PubChem CID53444519
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H
InChIKeyBBWMASBANDIFMV-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride (CID 53444519) is ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CCNCC1.Cl.
What is the InChIKey of ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is BBWMASBANDIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H.
What are the key properties of ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride?
ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 53444519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).