ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride

C20H32ClNO4 — CID 16807027

IUPACethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31NO4.ClH/c1-3-19(16-8-6-5-7-9-16)25-15-18(22)14-21-12-10-17(11-13-21)20(23)24-4-2;/h5-9,17-19,22H,3-4,10-15H2,1-2H3;1H
InChIKeySNSBCZSVCNGJRT-UHFFFAOYSA-N
MW385.93 g/mol
LogP3.21
Rot. Bonds9

About ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride

ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 16807027) has the molecular formula C20H32ClNO4 and a molecular weight of 385.93 g/mol. Its IUPAC name is ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride
PubChem CID16807027
Molecular FormulaC20H32ClNO4
Molecular Weight385.93 g/mol
Exact Mass385.20
IUPAC Nameethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl
InChIInChI=1S/C20H31NO4.ClH/c1-3-19(16-8-6-5-7-9-16)25-15-18(22)14-21-12-10-17(11-13-21)20(23)24-4-2;/h5-9,17-19,22H,3-4,10-15H2,1-2H3;1H
InChIKeySNSBCZSVCNGJRT-UHFFFAOYSA-N
XLogP3.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride (CID 16807027) is ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is SNSBCZSVCNGJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4.ClH/c1-3-19(16-8-6-5-7-9-16)25-15-18(22)14-21-12-10-17(11-13-21)20(23)24-4-2;/h5-9,17-19,22H,3-4,10-15H2,1-2H3;1H.
What are the key properties of ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride?
ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 385.93 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 16807027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).