1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine

C15H24N2S — CID 119124373

IUPAC1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ccc(C)s2)CC1
InChIInChI=1S/C15H24N2S/c1-12(2)11-17-8-6-14(7-9-17)16-10-15-5-4-13(3)18-15/h4-5,14,16H,1,6-11H2,2-3H3
InChIKeyYEYMEJYMTZYYHC-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine

1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 119124373) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID119124373
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ccc(C)s2)CC1
InChIInChI=1S/C15H24N2S/c1-12(2)11-17-8-6-14(7-9-17)16-10-15-5-4-13(3)18-15/h4-5,14,16H,1,6-11H2,2-3H3
InChIKeyYEYMEJYMTZYYHC-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (CID 119124373) is 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is C=C(C)CN1CCC(NCc2ccc(C)s2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is YEYMEJYMTZYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(2)11-17-8-6-14(7-9-17)16-10-15-5-4-13(3)18-15/h4-5,14,16H,1,6-11H2,2-3H3.
What are the key properties of 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).