1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine

C14H19N3S — CID 115230036

IUPAC1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
SMILESc1ccc2c(CNCN3CCNCC3)csc2c1
InChIInChI=1S/C14H19N3S/c1-2-4-14-13(3-1)12(10-18-14)9-16-11-17-7-5-15-6-8-17/h1-4,10,15-16H,5-9,11H2
InChIKeyCQIHVYFBGOHKOG-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.85
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine

1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115230036) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115230036
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
SMILESc1ccc2c(CNCN3CCNCC3)csc2c1
InChIInChI=1S/C14H19N3S/c1-2-4-14-13(3-1)12(10-18-14)9-16-11-17-7-5-15-6-8-17/h1-4,10,15-16H,5-9,11H2
InChIKeyCQIHVYFBGOHKOG-UHFFFAOYSA-N
XLogP1.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 60705100
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine (CID 115230036) is 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine is c1ccc2c(CNCN3CCNCC3)csc2c1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is CQIHVYFBGOHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-4-14-13(3-1)12(10-18-14)9-16-11-17-7-5-15-6-8-17/h1-4,10,15-16H,5-9,11H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine?
1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115230036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).