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

C19H29ClN2O3 — CID 3075558

IUPAC2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
SMILESCc1ccc(C2CN(CCOC(=O)N3CCCCC3)CCO2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-16-5-7-17(8-6-16)18-15-20(11-13-23-18)12-14-24-19(22)21-9-3-2-4-10-21;/h5-8,18H,2-4,9-15H2,1H3;1H
InChIKeyHZGZLLJRPGJRHF-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.41
Rot. Bonds4

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

2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride (PubChem CID 3075558) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
PubChem CID3075558
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride
SMILESCc1ccc(C2CN(CCOC(=O)N3CCCCC3)CCO2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-16-5-7-17(8-6-16)18-15-20(11-13-23-18)12-14-24-19(22)21-9-3-2-4-10-21;/h5-8,18H,2-4,9-15H2,1H3;1H
InChIKeyHZGZLLJRPGJRHF-UHFFFAOYSA-N
XLogP3.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The IUPAC name of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride (CID 3075558) is 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride is Cc1ccc(C2CN(CCOC(=O)N3CCCCC3)CCO2)cc1.Cl.
What is the InChIKey of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
The InChIKey is HZGZLLJRPGJRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-16-5-7-17(8-6-16)18-15-20(11-13-23-18)12-14-24-19(22)21-9-3-2-4-10-21;/h5-8,18H,2-4,9-15H2,1H3;1H.
What are the key properties of 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride?
2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 3075558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).