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

C15H24N2S — CID 43769320

IUPAC1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2cccs2)CC1
InChIInChI=1S/C15H24N2S/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h3-5,11,14,16H,6-10,12H2,1-2H3
InChIKeyIJNZMHYLYBVGNK-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.27
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 43769320) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID43769320
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2cccs2)CC1
InChIInChI=1S/C15H24N2S/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h3-5,11,14,16H,6-10,12H2,1-2H3
InChIKeyIJNZMHYLYBVGNK-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 115616309
2-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]phenol
CID 115617583
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-(3-methylbut-2-enyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 54912882
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 43769320) is 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCc2cccs2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is IJNZMHYLYBVGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-13(2)5-8-17-9-6-14(7-10-17)16-12-15-4-3-11-18-15/h3-5,11,14,16H,6-10,12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 3.27, 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-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43769320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).