1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine

C16H26N2S — CID 62841679

IUPAC1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)c2ccsc2)CC1
InChIInChI=1S/C16H26N2S/c1-13(2)4-8-18-9-5-16(6-10-18)17-14(3)15-7-11-19-12-15/h4,7,11-12,14,16-17H,5-6,8-10H2,1-3H3
InChIKeyWGVVDTGQFHCLMS-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine (PubChem CID 62841679) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
PubChem CID62841679
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)c2ccsc2)CC1
InChIInChI=1S/C16H26N2S/c1-13(2)4-8-18-9-5-16(6-10-18)17-14(3)15-7-11-19-12-15/h4,7,11-12,14,16-17H,5-6,8-10H2,1-3H3
InChIKeyWGVVDTGQFHCLMS-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
1-(3-methylbut-2-enyl)-N-thiophen-3-ylpiperidin-4-amine
CID 66350332
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81381712
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
1-pyridin-4-yl-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841839
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
N-(1-thiophen-3-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62842188
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
CID 54954604
trans-(1S,2S)-2-(1-thiophen-3-ylethylamino)cyclopentan-1-ol
CID 102733418
9-methyl-N-(1-thiophen-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472914
2,2-dimethyl-N-(1-thiophen-3-ylethyl)-1,3-dioxan-5-amine
CID 104585287

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine (CID 62841679) is 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine is CC(C)=CCN1CCC(NC(C)c2ccsc2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
The InChIKey is WGVVDTGQFHCLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13(2)4-8-18-9-5-16(6-10-18)17-14(3)15-7-11-19-12-15/h4,7,11-12,14,16-17H,5-6,8-10H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine has a molecular weight of 278.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine is sourced from PubChem (CID 62841679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).