N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride

C17H21BrCl2N2O — CID 44522108

IUPACN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1
InChIInChI=1S/C17H20BrClN2O.ClH/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12;/h1-4,9,12,20-21H,5-8,10-11H2;1H
InChIKeyPPNYCLRMTDRLPD-UHFFFAOYSA-N
MW420.18 g/mol
LogP4.87
Rot. Bonds5

About N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 44522108) has the molecular formula C17H21BrCl2N2O and a molecular weight of 420.18 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID44522108
Molecular FormulaC17H21BrCl2N2O
Molecular Weight420.18 g/mol
Exact Mass418.02
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1
InChIInChI=1S/C17H20BrClN2O.ClH/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12;/h1-4,9,12,20-21H,5-8,10-11H2;1H
InChIKeyPPNYCLRMTDRLPD-UHFFFAOYSA-N
XLogP4.87
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[5-(4-bromo-2-chlorophenyl)-2-furyl]methyl}-N-(4-piperidylmethyl)amine
CID 16004286
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-ethylazanium
CID 7425155
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-propan-2-ylazanium
CID 41494863
{[5-(4-Bromo-2-chlorophenyl)-2-furyl]methyl}(piperidin-4-ylmethyl)amine dihydrochloride
CID 17151695
N-[[5-(2-chloro-4-phenylphenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 145984249
Benzyl-[3-[[5-(2-bromo-4-chlorophenyl)furan-2-yl]methylamino]propyl]-dimethylazanium chloride
CID 145985734
N-[[5-(2-bromo-4-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 145985896
N-{[5-(2,5-dichlorophenyl)-2-furyl]methyl}-2-piperazin-1-ylethanamine
CID 16417172
Tert-butyl-[[5-(2-chlorophenyl)furan-2-yl]methyl]azanium
CID 8068013
1-[5-(4-bromophenyl)furan-2-yl]-N-(piperidin-4-ylmethyl)methanamine
CID 15943350
N-{[5-(4-bromo-3-methylphenyl)-2-furyl]methyl}-N-(4-piperidinylmethyl)amine
CID 16069836
N-{[5-(3-chlorophenyl)-2-furyl]methyl}-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189721

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride (CID 44522108) is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride is Cl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is PPNYCLRMTDRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2O.ClH/c18-13-1-3-15(16(19)9-13)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12;/h1-4,9,12,20-21H,5-8,10-11H2;1H.
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride?
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 420.18 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 44522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).