2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride

C19H28ClNO3 — CID 11314197

IUPAC2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H27NO3.ClH/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2;1H
InChIKeyQUJWFJNHTBKCLU-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.19
Rot. Bonds5

About 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride

2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 11314197) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
PubChem CID11314197
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Name2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C19H27NO3.ClH/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2;1H
InChIKeyQUJWFJNHTBKCLU-UHFFFAOYSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride (CID 11314197) is 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is QUJWFJNHTBKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3.ClH/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2;1H.
What are the key properties of 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride?
2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 11314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).