2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol

C15H22Br2N2O — CID 103603286

IUPAC2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
SMILESCCCN1CCC(NCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C15H22Br2N2O/c1-2-5-19-6-3-12(4-7-19)18-10-11-8-13(16)15(20)14(17)9-11/h8-9,12,18,20H,2-7,10H2,1H3
InChIKeyUVABZGSUEASNTB-UHFFFAOYSA-N
MW406.16 g/mol
LogP3.88
Rot. Bonds5

About 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol

2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 103603286) has the molecular formula C15H22Br2N2O and a molecular weight of 406.16 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
PubChem CID103603286
Molecular FormulaC15H22Br2N2O
Molecular Weight406.16 g/mol
Exact Mass404.01
IUPAC Name2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
SMILESCCCN1CCC(NCc2cc(Br)c(O)c(Br)c2)CC1
InChIInChI=1S/C15H22Br2N2O/c1-2-5-19-6-3-12(4-7-19)18-10-11-8-13(16)15(20)14(17)9-11/h8-9,12,18,20H,2-7,10H2,1H3
InChIKeyUVABZGSUEASNTB-UHFFFAOYSA-N
XLogP3.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
2,6-dibromo-4-[[(3-methylcyclopentyl)amino]methyl]phenol
CID 107741117
N-[(3-bromo-5-nitrophenyl)methyl]-1-propylpiperidin-4-amine
CID 103350689
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
1-propyl-N-[(1-propylpyrrol-3-yl)methyl]piperidin-4-amine
CID 66397545
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
2,6-dibromo-4-[[(3-hydroxycyclobutyl)amino]methyl]phenol
CID 107740875
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol (CID 103603286) is 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol is CCCN1CCC(NCc2cc(Br)c(O)c(Br)c2)CC1.
What is the InChIKey of 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is UVABZGSUEASNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O/c1-2-5-19-6-3-12(4-7-19)18-10-11-8-13(16)15(20)14(17)9-11/h8-9,12,18,20H,2-7,10H2,1H3.
What are the key properties of 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol?
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 406.16 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 103603286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).