N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

C18H26N2S — CID 60705134

IUPACN-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2csc3ccccc23)CC(C)(C)N1
InChIInChI=1S/C18H26N2S/c1-17(2)9-14(10-18(3,4)20-17)19-11-13-12-21-16-8-6-5-7-15(13)16/h5-8,12,14,19-20H,9-11H2,1-4H3
InChIKeyMIZPEMFNLUCNJB-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.30
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 60705134) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID60705134
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2csc3ccccc23)CC(C)(C)N1
InChIInChI=1S/C18H26N2S/c1-17(2)9-14(10-18(3,4)20-17)19-11-13-12-21-16-8-6-5-7-15(13)16/h5-8,12,14,19-20H,9-11H2,1-4H3
InChIKeyMIZPEMFNLUCNJB-UHFFFAOYSA-N
XLogP4.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-(1-benzothiophen-3-ylmethyl)-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631979
N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66385034
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
N-(1-benzothiophen-3-yl)-5,5-dimethylpyrrolidin-3-amine
CID 115145750
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
1-(1-benzothiophen-3-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 64838953
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
N-(1-benzothiophen-3-ylmethyl)-3-methyloxolan-3-amine
CID 115768581
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 60705134) is N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2csc3ccccc23)CC(C)(C)N1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is MIZPEMFNLUCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-17(2)9-14(10-18(3,4)20-17)19-11-13-12-21-16-8-6-5-7-15(13)16/h5-8,12,14,19-20H,9-11H2,1-4H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 302.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 60705134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).