ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride

C17H32ClNO4 — CID 44782596

IUPACethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COC2CCCCC2)CC1.Cl
InChIInChI=1S/C17H31NO4.ClH/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16;/h14-16,19H,2-13H2,1H3;1H
InChIKeyWKCYGMICAYQOGO-UHFFFAOYSA-N
MW349.90 g/mol
LogP2.39
Rot. Bonds7

About ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride

ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 44782596) has the molecular formula C17H32ClNO4 and a molecular weight of 349.90 g/mol. Its IUPAC name is ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride
PubChem CID44782596
Molecular FormulaC17H32ClNO4
Molecular Weight349.90 g/mol
Exact Mass349.20
IUPAC Nameethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(CC(O)COC2CCCCC2)CC1.Cl
InChIInChI=1S/C17H31NO4.ClH/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16;/h14-16,19H,2-13H2,1H3;1H
InChIKeyWKCYGMICAYQOGO-UHFFFAOYSA-N
XLogP2.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride (CID 44782596) is ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(CC(O)COC2CCCCC2)CC1.Cl.
What is the InChIKey of ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is WKCYGMICAYQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4.ClH/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16;/h14-16,19H,2-13H2,1H3;1H.
What are the key properties of ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride?
ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclohexyloxy-2-hydroxypropyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 44782596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).