4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol

C15H23BrN2O — CID 82981617

IUPAC4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCN(Cc2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H23BrN2O/c1-17(2)10-12-5-7-18(8-6-12)11-13-9-14(16)3-4-15(13)19/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyFKLCKGKCHQATHW-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.93
Rot. Bonds4

About 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol

4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol (PubChem CID 82981617) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol
PubChem CID82981617
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol
SMILESCN(C)CC1CCN(Cc2cc(Br)ccc2O)CC1
InChIInChI=1S/C15H23BrN2O/c1-17(2)10-12-5-7-18(8-6-12)11-13-9-14(16)3-4-15(13)19/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyFKLCKGKCHQATHW-UHFFFAOYSA-N
XLogP2.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979917
4-bromo-2-[(4-methylpiperazin-1-yl)methyl]phenol
CID 46840105
4-bromo-2-[(4-cyclopentylpiperazin-1-yl)methyl]phenol
CID 773084
2-[2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 115462730
1-[4-[(5-bromo-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 82974119
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
CID 121200307
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389
4-bromo-2-[(4-butan-2-ylpiperazin-1-yl)methyl]phenol
CID 82979345
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986174
1-[5-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966882
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbenzoic acid
CID 114485446
1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol (CID 82981617) is 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol is CN(C)CC1CCN(Cc2cc(Br)ccc2O)CC1.
What is the InChIKey of 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol?
The InChIKey is FKLCKGKCHQATHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17(2)10-12-5-7-18(8-6-12)11-13-9-14(16)3-4-15(13)19/h3-4,9,12,19H,5-8,10-11H2,1-2H3.
What are the key properties of 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol?
4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol has a molecular weight of 327.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 82981617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).