2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine

C24H29ClN2O4 — CID 10160750

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine
SMILESClc1ccc(CN2CCC(N3CCOC(COc4ccc5c(c4)OCO5)C3)CC2)cc1
InChIInChI=1S/C24H29ClN2O4/c25-19-3-1-18(2-4-19)14-26-9-7-20(8-10-26)27-11-12-28-22(15-27)16-29-21-5-6-23-24(13-21)31-17-30-23/h1-6,13,20,22H,7-12,14-17H2
InChIKeySABYHYPUXUOHBM-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.81
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine

2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 10160750) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine
PubChem CID10160750
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine
SMILESClc1ccc(CN2CCC(N3CCOC(COc4ccc5c(c4)OCO5)C3)CC2)cc1
InChIInChI=1S/C24H29ClN2O4/c25-19-3-1-18(2-4-19)14-26-9-7-20(8-10-26)27-11-12-28-22(15-27)16-29-21-5-6-23-24(13-21)31-17-30-23/h1-6,13,20,22H,7-12,14-17H2
InChIKeySABYHYPUXUOHBM-UHFFFAOYSA-N
XLogP3.81
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine
CID 10225899
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-4-(4-chlorophenoxy)butan-1-one
CID 74229061
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3762309
4-ethyl-2-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]morpholine
CID 44581056
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
(3S)-3-(1,3-benzodioxol-5-yloxymethyl)-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
CID 58737554
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 2370092
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16611500
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-(6-bromo-2-pyridinyl)methanone
CID 3740897
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine (CID 10160750) is 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine is Clc1ccc(CN2CCC(N3CCOC(COc4ccc5c(c4)OCO5)C3)CC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is SABYHYPUXUOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c25-19-3-1-18(2-4-19)14-26-9-7-20(8-10-26)27-11-12-28-22(15-27)16-29-21-5-6-23-24(13-21)31-17-30-23/h1-6,13,20,22H,7-12,14-17H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine?
2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 444.96 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 10160750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).