4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride

C19H30ClNO3 — CID 6602735

IUPAC4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride
SMILESCC(C)CCC(CCN1CCOCC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C19H29NO3.ClH/c1-15(2)3-4-16(7-8-20-9-11-21-12-10-20)17-5-6-18-19(13-17)23-14-22-18;/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3;1H
InChIKeyJMBFEQGJVMRNDN-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.08
Rot. Bonds7

About 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride

4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride (PubChem CID 6602735) has the molecular formula C19H30ClNO3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride
PubChem CID6602735
Molecular FormulaC19H30ClNO3
Molecular Weight355.91 g/mol
Exact Mass355.19
IUPAC Name4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride
SMILESCC(C)CCC(CCN1CCOCC1)c1ccc2c(c1)OCO2.Cl
InChIInChI=1S/C19H29NO3.ClH/c1-15(2)3-4-16(7-8-20-9-11-21-12-10-20)17-5-6-18-19(13-17)23-14-22-18;/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3;1H
InChIKeyJMBFEQGJVMRNDN-UHFFFAOYSA-N
XLogP4.08
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride (CID 6602735) is 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride is CC(C)CCC(CCN1CCOCC1)c1ccc2c(c1)OCO2.Cl.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride?
The InChIKey is JMBFEQGJVMRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3.ClH/c1-15(2)3-4-16(7-8-20-9-11-21-12-10-20)17-5-6-18-19(13-17)23-14-22-18;/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3;1H.
What are the key properties of 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride?
4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]morpholine;hydrochloride is sourced from PubChem (CID 6602735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).