N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

C15H23BrN2 — CID 107082122

IUPACN-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-18-10-8-15(9-11-18)17(2)14-6-4-13(12-16)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyRDJPGAUINQFBDE-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine

N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 107082122) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID107082122
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-18-10-8-15(9-11-18)17(2)14-6-4-13(12-16)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyRDJPGAUINQFBDE-UHFFFAOYSA-N
XLogP3.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine (CID 107082122) is N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)c2ccc(CBr)cc2)CC1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is RDJPGAUINQFBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-18-10-8-15(9-11-18)17(2)14-6-4-13(12-16)5-7-14/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 311.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 107082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).