3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine

C17H26N2 — CID 107069314

IUPAC3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CCCNC1CN1CCc2ccccc2CC1
InChIInChI=1S/C17H26N2/c1-14-5-4-10-18-17(14)13-19-11-8-15-6-2-3-7-16(15)9-12-19/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeyARMOVZXJGGPSRY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.48
Rot. Bonds2

About 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine

3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 107069314) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID107069314
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CCCNC1CN1CCc2ccccc2CC1
InChIInChI=1S/C17H26N2/c1-14-5-4-10-18-17(14)13-19-11-8-15-6-2-3-7-16(15)9-12-19/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3
InChIKeyARMOVZXJGGPSRY-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine 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

2-(4-Benzylpiperidin-1-yl)ethan-1-amine
CID 2779831
1-Phenethylpiperazine
CID 79214
1-Methyl-3-phenylpiperazine
CID 2760009
1-(3-Phenylpropyl)piperazine
CID 796534
1-(2-Phenylethyl)piperidin-4-amine
CID 10728788
2,3,4,5-Tetrahydro-1H-benzo(d)azepine
CID 1400243
3-(2,3-Dimethylphenyl)piperidine
CID 10679213
N-benzyl-N-isobutylpiperidin-4-amine
CID 44411431
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-Phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride
CID 2870942
1-[2-(Trifluoromethyl)phenethyl]piperazine
CID 3023325

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine (CID 107069314) is 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine is CC1CCCNC1CN1CCc2ccccc2CC1.
What is the InChIKey of 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is ARMOVZXJGGPSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-5-4-10-18-17(14)13-19-11-8-15-6-2-3-7-16(15)9-12-19/h2-3,6-7,14,17-18H,4-5,8-13H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine?
3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 258.41 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 107069314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).