N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine

C16H23IN2 — CID 18380593

IUPACN-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN(c1ccc(I)cc1)C1CCNCC1
InChIInChI=1S/C16H23IN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-6,9,16,18H,7-8,10-12H2,1-2H3
InChIKeyZPPLLJVDHFZVKQ-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.82
Rot. Bonds4

About N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine

N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 18380593) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID18380593
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC NameN-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN(c1ccc(I)cc1)C1CCNCC1
InChIInChI=1S/C16H23IN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-6,9,16,18H,7-8,10-12H2,1-2H3
InChIKeyZPPLLJVDHFZVKQ-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine (CID 18380593) is N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN(c1ccc(I)cc1)C1CCNCC1.
What is the InChIKey of N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is ZPPLLJVDHFZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c1-13(2)9-12-19(16-7-10-18-11-8-16)15-5-3-14(17)4-6-15/h3-6,9,16,18H,7-8,10-12H2,1-2H3.
What are the key properties of N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine?
N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 370.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 18380593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).