2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine

C16H19NS — CID 114911453

IUPAC2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cc3ccccc3s2)C1
InChIInChI=1S/C16H19NS/c1-12-8-9-17-14(10-12)6-7-15-11-13-4-2-3-5-16(13)18-15/h2-7,11-12,14,17H,8-10H2,1H3/b7-6+
InChIKeyOKTLGVCGAWDLQN-VOTSOKGWSA-N
MW257.40 g/mol
LogP4.30
Rot. Bonds2

About 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine

2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine (PubChem CID 114911453) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine
PubChem CID114911453
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine
SMILESCC1CCNC(/C=C/c2cc3ccccc3s2)C1
InChIInChI=1S/C16H19NS/c1-12-8-9-17-14(10-12)6-7-15-11-13-4-2-3-5-16(13)18-15/h2-7,11-12,14,17H,8-10H2,1H3/b7-6+
InChIKeyOKTLGVCGAWDLQN-VOTSOKGWSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(3-chlorophenyl)ethenyl]-4-methylpiperidine
CID 116686092
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4,4-dimethyloxane
CID 169095841
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
2-[(E)-pent-1-enyl]-1-benzothiophene
CID 56648426
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
N-(2-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 106995225
4-(1-benzothiophen-2-yl)-N-methylbut-3-en-1-amine
CID 170495877
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
CID 5160129
(1S,4R,5R)-3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
CID 57409171

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine?
The IUPAC name of 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine (CID 114911453) is 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine is CC1CCNC(/C=C/c2cc3ccccc3s2)C1.
What is the InChIKey of 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine?
The InChIKey is OKTLGVCGAWDLQN-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-8-9-17-14(10-12)6-7-15-11-13-4-2-3-5-16(13)18-15/h2-7,11-12,14,17H,8-10H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine?
2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine has a molecular weight of 257.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-4-methylpiperidine is sourced from PubChem (CID 114911453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).