4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine

C21H32N2O4 — CID 70727914

IUPAC4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCOc1cc2c(cc1CN1CCC(C(C)N3CCOCC3)CC1)OCCO2
InChIInChI=1S/C21H32N2O4/c1-16(23-7-9-25-10-8-23)17-3-5-22(6-4-17)15-18-13-20-21(14-19(18)24-2)27-12-11-26-20/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyIUYOKFIWARBCCF-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.40
Rot. Bonds5

About 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70727914) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70727914
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCOc1cc2c(cc1CN1CCC(C(C)N3CCOCC3)CC1)OCCO2
InChIInChI=1S/C21H32N2O4/c1-16(23-7-9-25-10-8-23)17-3-5-22(6-4-17)15-18-13-20-21(14-19(18)24-2)27-12-11-26-20/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyIUYOKFIWARBCCF-UHFFFAOYSA-N
XLogP2.40
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine with MolForge

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Related Compounds

4-[1-[1-[(2,3-difluoro-4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70706548
(3S,4S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77082837
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 26390770
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
(3S,4R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 72931699
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
3-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 70753604
(5S)-9-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97119868
4-[(1R)-1-[1-(quinolin-4-ylmethyl)piperidin-4-yl]ethyl]morpholine
CID 95144633
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
4-[(1S)-1-[1-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethyl]morpholine
CID 26410280
1-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azetidin-3-yl]piperidine
CID 77086835

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70727914) is 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine is COc1cc2c(cc1CN1CCC(C(C)N3CCOCC3)CC1)OCCO2.
What is the InChIKey of 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is IUYOKFIWARBCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16(23-7-9-25-10-8-23)17-3-5-22(6-4-17)15-18-13-20-21(14-19(18)24-2)27-12-11-26-20/h13-14,16-17H,3-12,15H2,1-2H3.
What are the key properties of 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 376.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70727914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).