N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine

C15H22BrFN2 — CID 60806488

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(F)cc1Br)C1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-9-19(14-5-7-18-8-6-14)11-12-3-4-13(17)10-15(12)16/h3-4,10,14,18H,2,5-9,11H2,1H3
InChIKeyDQDCIMBYSINFQI-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine

N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 60806488) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID60806488
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(F)cc1Br)C1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-9-19(14-5-7-18-8-6-14)11-12-3-4-13(17)10-15(12)16/h3-4,10,14,18H,2,5-9,11H2,1H3
InChIKeyDQDCIMBYSINFQI-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-N-methylbenzylamine
CID 522360
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
Benzenemethanamine, 2-bromo-N-ethyl-
CID 485401
Benzenemethanamine, 2-bromo-N-butyl-
CID 485402
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 781972
1-(3-Bromobenzyl)piperazine
CID 876852
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine (CID 60806488) is N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1ccc(F)cc1Br)C1CCNCC1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is DQDCIMBYSINFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-9-19(14-5-7-18-8-6-14)11-12-3-4-13(17)10-15(12)16/h3-4,10,14,18H,2,5-9,11H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 329.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60806488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).