4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine

C19H28Cl2N2O — CID 118714020

IUPAC4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine
SMILESCC1CCCN(C(CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H28Cl2N2O/c1-15-3-2-7-23(14-15)19(6-8-22-9-11-24-12-10-22)16-4-5-17(20)18(21)13-16/h4-5,13,15,19H,2-3,6-12,14H2,1H3
InChIKeyYVOMATWVFCSQME-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.49
Rot. Bonds5

About 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine

4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine (PubChem CID 118714020) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine
PubChem CID118714020
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine
SMILESCC1CCCN(C(CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H28Cl2N2O/c1-15-3-2-7-23(14-15)19(6-8-22-9-11-24-12-10-22)16-4-5-17(20)18(21)13-16/h4-5,13,15,19H,2-3,6-12,14H2,1H3
InChIKeyYVOMATWVFCSQME-UHFFFAOYSA-N
XLogP4.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine (CID 118714020) is 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine is CC1CCCN(C(CCN2CCOCC2)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine?
The InChIKey is YVOMATWVFCSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O/c1-15-3-2-7-23(14-15)19(6-8-22-9-11-24-12-10-22)16-4-5-17(20)18(21)13-16/h4-5,13,15,19H,2-3,6-12,14H2,1H3.
What are the key properties of 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine?
4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine has a molecular weight of 371.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propyl]morpholine is sourced from PubChem (CID 118714020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).