2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride

C18H26Cl2N2O3 — CID 3075562

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCCCC1
InChIInChI=1S/C18H25ClN2O3.ClH/c19-16-6-4-15(5-7-16)17-14-20(10-12-23-17)11-13-24-18(22)21-8-2-1-3-9-21;/h4-7,17H,1-3,8-14H2;1H
InChIKeyLOSXYKJMPAIVEC-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.76
Rot. Bonds4

About 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride

2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride (PubChem CID 3075562) has the molecular formula C18H26Cl2N2O3 and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
PubChem CID3075562
Molecular FormulaC18H26Cl2N2O3
Molecular Weight389.32 g/mol
Exact Mass388.13
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCCCC1
InChIInChI=1S/C18H25ClN2O3.ClH/c19-16-6-4-15(5-7-16)17-14-20(10-12-23-17)11-13-24-18(22)21-8-2-1-3-9-21;/h4-7,17H,1-3,8-14H2;1H
InChIKeyLOSXYKJMPAIVEC-UHFFFAOYSA-N
XLogP3.76
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride (CID 3075562) is 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCOC(c2ccc(Cl)cc2)C1)N1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The InChIKey is LOSXYKJMPAIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3.ClH/c19-16-6-4-15(5-7-16)17-14-20(10-12-23-17)11-13-24-18(22)21-8-2-1-3-9-21;/h4-7,17H,1-3,8-14H2;1H.
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride has a molecular weight of 389.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3075562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).