N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride

C16H32ClN3O — CID 120854111

IUPACN,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride
SMILESCN(C)C1CCC2C(C1)OCCN2CC1CCCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-18(2)14-5-6-15-16(10-14)20-9-8-19(15)12-13-4-3-7-17-11-13;/h13-17H,3-12H2,1-2H3;1H
InChIKeyBINDNOVDVXJQRW-UHFFFAOYSA-N
MW317.91 g/mol
LogP1.59
Rot. Bonds3

About N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride

N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride (PubChem CID 120854111) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride
PubChem CID120854111
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC NameN,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride
SMILESCN(C)C1CCC2C(C1)OCCN2CC1CCCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-18(2)14-5-6-15-16(10-14)20-9-8-19(15)12-13-4-3-7-17-11-13;/h13-17H,3-12H2,1-2H3;1H
InChIKeyBINDNOVDVXJQRW-UHFFFAOYSA-N
XLogP1.59
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride (CID 120854111) is N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride is CN(C)C1CCC2C(C1)OCCN2CC1CCCNC1.Cl.
What is the InChIKey of N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride?
The InChIKey is BINDNOVDVXJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-18(2)14-5-6-15-16(10-14)20-9-8-19(15)12-13-4-3-7-17-11-13;/h13-17H,3-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride?
N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(piperidin-3-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-7-amine;hydrochloride is sourced from PubChem (CID 120854111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).