8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride

C14H22ClN3O — CID 67279684

IUPAC8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride
SMILESC[C@@H]1CCCCN1c1ccc2c(n1)OCCNC2.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-4-2-3-8-17(11)13-6-5-12-10-15-7-9-18-14(12)16-13;/h5-6,11,15H,2-4,7-10H2,1H3;1H/t11-;/m1./s1
InChIKeyVGHUJJGILRCVTQ-RFVHGSKJSA-N
MW283.80 g/mol
LogP2.36
Rot. Bonds1

About 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride

8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride (PubChem CID 67279684) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride.

Molecular Properties

Compound Name8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride
PubChem CID67279684
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride
SMILESC[C@@H]1CCCCN1c1ccc2c(n1)OCCNC2.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-11-4-2-3-8-17(11)13-6-5-12-10-15-7-9-18-14(12)16-13;/h5-6,11,15H,2-4,7-10H2,1H3;1H/t11-;/m1./s1
InChIKeyVGHUJJGILRCVTQ-RFVHGSKJSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-ethylpiperidin-1-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrobromide
CID 67280231
8-cyclohexyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
CID 67280542
8-cyclopropyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
CID 67279430
2-[4-(2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-yl)piperazin-1-yl]propanoic acid
CID 123554068
5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81214550
N-butan-2-yl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;dihydrobromide
CID 67279766
N-ethyl-N-propyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine;hydrochloride
CID 67280017
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
CID 80835819
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
8-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;trihydrochloride
CID 67279815
2-cyclopropyl-N-methyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80959929
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride?
The IUPAC name of 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride (CID 67279684) is 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride.
What is the SMILES notation for 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride?
The canonical SMILES for 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride is C[C@@H]1CCCCN1c1ccc2c(n1)OCCNC2.Cl.
What is the InChIKey of 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride?
The InChIKey is VGHUJJGILRCVTQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-11-4-2-3-8-17(11)13-6-5-12-10-15-7-9-18-14(12)16-13;/h5-6,11,15H,2-4,7-10H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride?
8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-methylpiperidin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;hydrochloride is sourced from PubChem (CID 67279684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).