1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine

C18H35N3 — CID 43791772

IUPAC1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)CN2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-16(2)7-12-20-13-8-18(9-14-20)19-17(3)15-21-10-5-4-6-11-21/h7,17-19H,4-6,8-15H2,1-3H3
InChIKeyHFLNERXUWGVLQS-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.88
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine (PubChem CID 43791772) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine
PubChem CID43791772
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC(C)CN2CCCCC2)CC1
InChIInChI=1S/C18H35N3/c1-16(2)7-12-20-13-8-18(9-14-20)19-17(3)15-21-10-5-4-6-11-21/h7,17-19H,4-6,8-15H2,1-3H3
InChIKeyHFLNERXUWGVLQS-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.88
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-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine (CID 43791772) is 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine is CC(C)=CCN1CCC(NC(C)CN2CCCCC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is HFLNERXUWGVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-16(2)7-12-20-13-8-18(9-14-20)19-17(3)15-21-10-5-4-6-11-21/h7,17-19H,4-6,8-15H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 293.50 g/mol, XLogP of 2.88, 6 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-piperidin-1-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 43791772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).