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

C14H23Cl2N3O — CID 68955784

IUPAC4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride
SMILESC[C@@H]1CNCCc2ccc(N3CCOCC3)nc21.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17;;/h2-3,11,15H,4-10H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyDJGZISMFMLIQHO-NVJADKKVSA-N
MW320.26 g/mol
LogP2.01
Rot. Bonds1

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

4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride (PubChem CID 68955784) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride
PubChem CID68955784
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride
SMILESC[C@@H]1CNCCc2ccc(N3CCOCC3)nc21.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17;;/h2-3,11,15H,4-10H2,1H3;2*1H/t11-;;/m1../s1
InChIKeyDJGZISMFMLIQHO-NVJADKKVSA-N
XLogP2.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[(9S)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]-1,4-oxazepane;dihydrochloride
CID 68955034
(9S)-9-methyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine;dihydrochloride
CID 68952147
9-methyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 24958910
2-methoxy-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 24958168
(3R)-3-ethyl-4-(8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)morpholine
CID 59538688
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
4-(8-methyl-2-piperazin-1-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 175198311
2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 67402294
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 165006836
4-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 131724211
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177

Frequently Asked Questions

What is the IUPAC name of 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride (CID 68955784) is 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride is C[C@@H]1CNCCc2ccc(N3CCOCC3)nc21.Cl.Cl.
What is the InChIKey of 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride?
The InChIKey is DJGZISMFMLIQHO-NVJADKKVSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11-10-15-5-4-12-2-3-13(16-14(11)12)17-6-8-18-9-7-17;;/h2-3,11,15H,4-10H2,1H3;2*1H/t11-;;/m1../s1.
What are the key properties of 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride?
4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9R)-9-methyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl]morpholine;dihydrochloride is sourced from PubChem (CID 68955784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).