4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde

C15H19BrN2O — CID 166969268

IUPAC4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde
SMILESNc1cc(Br)ccc1C1(C=O)CCN(C2CC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-11-1-4-13(14(17)9-11)15(10-19)5-7-18(8-6-15)12-2-3-12/h1,4,9-10,12H,2-3,5-8,17H2
InChIKeyONNRUNDQXRRUCM-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.73
Rot. Bonds3

About 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde

4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde (PubChem CID 166969268) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde
PubChem CID166969268
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde
SMILESNc1cc(Br)ccc1C1(C=O)CCN(C2CC2)CC1
InChIInChI=1S/C15H19BrN2O/c16-11-1-4-13(14(17)9-11)15(10-19)5-7-18(8-6-15)12-2-3-12/h1,4,9-10,12H,2-3,5-8,17H2
InChIKeyONNRUNDQXRRUCM-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde?
The IUPAC name of 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde (CID 166969268) is 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde is Nc1cc(Br)ccc1C1(C=O)CCN(C2CC2)CC1.
What is the InChIKey of 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde?
The InChIKey is ONNRUNDQXRRUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-11-1-4-13(14(17)9-11)15(10-19)5-7-18(8-6-15)12-2-3-12/h1,4,9-10,12H,2-3,5-8,17H2.
What are the key properties of 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde?
4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde has a molecular weight of 323.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde is sourced from PubChem (CID 166969268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).