N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

C18H26N2S — CID 60705100

IUPACN-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCc2csc3ccccc23)CC1
InChIInChI=1S/C18H26N2S/c1-15-7-11-20(12-8-15)10-4-9-19-13-16-14-21-18-6-3-2-5-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3
InChIKeyRFEBAPKJWBKIGT-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.11
Rot. Bonds6

About N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine

N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 60705100) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID60705100
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCCNCc2csc3ccccc23)CC1
InChIInChI=1S/C18H26N2S/c1-15-7-11-20(12-8-15)10-4-9-19-13-16-14-21-18-6-3-2-5-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3
InChIKeyRFEBAPKJWBKIGT-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine 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

N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1,3-benzodioxol-4-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43583711
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
N-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 114487249
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
4-chloro-2-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 28679958
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 60705100) is N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(CCCNCc2csc3ccccc23)CC1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is RFEBAPKJWBKIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-15-7-11-20(12-8-15)10-4-9-19-13-16-14-21-18-6-3-2-5-17(16)18/h2-3,5-6,14-15,19H,4,7-13H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 60705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).