4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine

C14H23N3O — CID 143723489

IUPAC4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine
SMILESCC1CNCCC2=C1N=C(N1CCOCC1)CC2
InChIInChI=1S/C14H23N3O/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17/h11,15H,2-10H2,1H3
InChIKeyCINBSVBHXCBUBZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.39
Rot. Bonds

About 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine

4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine (PubChem CID 143723489) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine.

Molecular Properties

Compound Name4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine
PubChem CID143723489
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine
SMILESCC1CNCCC2=C1N=C(N1CCOCC1)CC2
InChIInChI=1S/C14H23N3O/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17/h11,15H,2-10H2,1H3
InChIKeyCINBSVBHXCBUBZ-UHFFFAOYSA-N
XLogP1.39
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine?
The IUPAC name of 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine (CID 143723489) is 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine.
What is the SMILES notation for 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine?
The canonical SMILES for 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine is CC1CNCCC2=C1N=C(N1CCOCC1)CC2.
What is the InChIKey of 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine?
The InChIKey is CINBSVBHXCBUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17/h11,15H,2-10H2,1H3.
What are the key properties of 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine?
4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine has a molecular weight of 249.36 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine is sourced from PubChem (CID 143723489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).