N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

C15H20BrClN2 — CID 103581523

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESClc1cc(CNC2CCN(C3CC3)CC2)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-4-1-11(9-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2
InChIKeyPEYVTPMGBQVGJC-UHFFFAOYSA-N
MW343.70 g/mol
LogP3.82
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 103581523) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
PubChem CID103581523
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESClc1cc(CNC2CCN(C3CC3)CC2)ccc1Br
InChIInChI=1S/C15H20BrClN2/c16-14-4-1-11(9-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2
InChIKeyPEYVTPMGBQVGJC-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 ≤ 500343.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (CID 103581523) is N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is Clc1cc(CNC2CCN(C3CC3)CC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is PEYVTPMGBQVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-14-4-1-11(9-15(14)17)10-18-12-5-7-19(8-6-12)13-2-3-13/h1,4,9,12-13,18H,2-3,5-8,10H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 343.70 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-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 103581523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).