1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine

C15H22N2S — CID 54964413

IUPAC1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESC#CCN1CCC(NC(CC)c2cccs2)CC1
InChIInChI=1S/C15H22N2S/c1-3-9-17-10-7-13(8-11-17)16-14(4-2)15-6-5-12-18-15/h1,5-6,12-14,16H,4,7-11H2,2H3
InChIKeyKFDGLHZHFHCWQE-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.89
Rot. Bonds5

About 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine

1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine (PubChem CID 54964413) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
PubChem CID54964413
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESC#CCN1CCC(NC(CC)c2cccs2)CC1
InChIInChI=1S/C15H22N2S/c1-3-9-17-10-7-13(8-11-17)16-14(4-2)15-6-5-12-18-15/h1,5-6,12-14,16H,4,7-11H2,2H3
InChIKeyKFDGLHZHFHCWQE-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55153023
1-cyclopropyl-5-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 115713136
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
CID 115723071
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine (CID 54964413) is 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine is C#CCN1CCC(NC(CC)c2cccs2)CC1.
What is the InChIKey of 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
The InChIKey is KFDGLHZHFHCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-9-17-10-7-13(8-11-17)16-14(4-2)15-6-5-12-18-15/h1,5-6,12-14,16H,4,7-11H2,2H3.
What are the key properties of 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine?
1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-(1-thiophen-2-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 54964413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).