2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride

C18H27ClN2O3 — CID 3075554

IUPAC2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(20-9-5-2-6-10-20)23-14-12-19-11-13-22-17(15-19)16-7-3-1-4-8-16;/h1,3-4,7-8,17H,2,5-6,9-15H2;1H
InChIKeyMFQGVEABHJECPG-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride

2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride (PubChem CID 3075554) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride
PubChem CID3075554
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(20-9-5-2-6-10-20)23-14-12-19-11-13-22-17(15-19)16-7-3-1-4-8-16;/h1,3-4,7-8,17H,2,5-6,9-15H2;1H
InChIKeyMFQGVEABHJECPG-UHFFFAOYSA-N
XLogP3.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride?
The IUPAC name of 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride (CID 3075554) is 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOC(c2ccccc2)C1)N1CCCCC1.
What is the InChIKey of 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride?
The InChIKey is MFQGVEABHJECPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c21-18(20-9-5-2-6-10-20)23-14-12-19-11-13-22-17(15-19)16-7-3-1-4-8-16;/h1,3-4,7-8,17H,2,5-6,9-15H2;1H.
What are the key properties of 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride?
2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmorpholin-4-yl)ethyl piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3075554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).