4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine

C16H25N3O2 — CID 82250940

IUPAC4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine
SMILESCOc1ccc2c(c1)N(CCN1CCOCC1)CCNC2
InChIInChI=1S/C16H25N3O2/c1-20-15-3-2-14-13-17-4-5-19(16(14)12-15)7-6-18-8-10-21-11-9-18/h2-3,12,17H,4-11,13H2,1H3
InChIKeyBLPMAYVHRAZQOP-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.94
Rot. Bonds4

About 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine

4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine (PubChem CID 82250940) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine
PubChem CID82250940
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine
SMILESCOc1ccc2c(c1)N(CCN1CCOCC1)CCNC2
InChIInChI=1S/C16H25N3O2/c1-20-15-3-2-14-13-17-4-5-19(16(14)12-15)7-6-18-8-10-21-11-9-18/h2-3,12,17H,4-11,13H2,1H3
InChIKeyBLPMAYVHRAZQOP-UHFFFAOYSA-N
XLogP0.94
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine (CID 82250940) is 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine is COc1ccc2c(c1)N(CCN1CCOCC1)CCNC2.
What is the InChIKey of 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine?
The InChIKey is BLPMAYVHRAZQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-15-3-2-14-13-17-4-5-19(16(14)12-15)7-6-18-8-10-21-11-9-18/h2-3,12,17H,4-11,13H2,1H3.
What are the key properties of 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine?
4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine has a molecular weight of 291.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine is sourced from PubChem (CID 82250940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).