(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane

C16H24BrN3 — CID 171530537

IUPAC(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane
SMILESC/N=C1\CCN(C)C\C1=C(\N)c1ccc(Br)cc1.CC
InChIInChI=1S/C14H18BrN3.C2H6/c1-17-13-7-8-18(2)9-12(13)14(16)10-3-5-11(15)6-4-10;1-2/h3-6H,7-9,16H2,1-2H3;1-2H3/b14-12-,17-13+;
InChIKeyZUNFPMKNIHJFKV-OUJIVGFYSA-N
MW338.29 g/mol
LogP3.55
Rot. Bonds1

About (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane

(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane (PubChem CID 171530537) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane.

Molecular Properties

Compound Name(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane
PubChem CID171530537
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane
SMILESC/N=C1\CCN(C)C\C1=C(\N)c1ccc(Br)cc1.CC
InChIInChI=1S/C14H18BrN3.C2H6/c1-17-13-7-8-18(2)9-12(13)14(16)10-3-5-11(15)6-4-10;1-2/h3-6H,7-9,16H2,1-2H3;1-2H3/b14-12-,17-13+;
InChIKeyZUNFPMKNIHJFKV-OUJIVGFYSA-N
XLogP3.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane?
The IUPAC name of (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane (CID 171530537) is (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane.
What is the SMILES notation for (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane?
The canonical SMILES for (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane is C/N=C1\CCN(C)C\C1=C(\N)c1ccc(Br)cc1.CC.
What is the InChIKey of (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane?
The InChIKey is ZUNFPMKNIHJFKV-OUJIVGFYSA-N. The full InChI is InChI=1S/C14H18BrN3.C2H6/c1-17-13-7-8-18(2)9-12(13)14(16)10-3-5-11(15)6-4-10;1-2/h3-6H,7-9,16H2,1-2H3;1-2H3/b14-12-,17-13+;.
What are the key properties of (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane?
(Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane has a molecular weight of 338.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-bromophenyl)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;ethane is sourced from PubChem (CID 171530537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).