2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride

C19H31ClN2O — CID 24761181

IUPAC2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride
SMILESCc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21;/h4-7,16-17,19H,8-14H2,1-3H3;1H
InChIKeyOZLGARSHPRXXOX-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.49
Rot. Bonds3

About 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride

2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride (PubChem CID 24761181) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride
PubChem CID24761181
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride
SMILESCc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21;/h4-7,16-17,19H,8-14H2,1-3H3;1H
InChIKeyOZLGARSHPRXXOX-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride?
The IUPAC name of 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride (CID 24761181) is 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride is Cc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1.Cl.
What is the InChIKey of 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride?
The InChIKey is OZLGARSHPRXXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-15-4-6-18(7-5-15)14-20-10-8-19(9-11-20)21-12-16(2)22-17(3)13-21;/h4-7,16-17,19H,8-14H2,1-3H3;1H.
What are the key properties of 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride?
2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 24761181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).