[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol

C14H20BrNO — CID 114061417

IUPAC[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol
SMILESCC1CCC(C)N(c2ccc(Br)cc2CO)C1
InChIInChI=1S/C14H20BrNO/c1-10-3-4-11(2)16(8-10)14-6-5-13(15)7-12(14)9-17/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyMMKDPRUOELINMV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.57
Rot. Bonds2

About [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol

[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol (PubChem CID 114061417) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol
PubChem CID114061417
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol
SMILESCC1CCC(C)N(c2ccc(Br)cc2CO)C1
InChIInChI=1S/C14H20BrNO/c1-10-3-4-11(2)16(8-10)14-6-5-13(15)7-12(14)9-17/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyMMKDPRUOELINMV-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82983101
1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055090
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
3-[1-[4-bromo-2-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114061400
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114061366
2-(4-bromo-2-ethylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81289207
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpiperidine
CID 107084241
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
5-bromo-2-(2,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114896030
2-bromo-6-(2,5-dimethylpiperidin-1-yl)benzoic acid
CID 114888306
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol (CID 114061417) is [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol is CC1CCC(C)N(c2ccc(Br)cc2CO)C1.
What is the InChIKey of [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol?
The InChIKey is MMKDPRUOELINMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-3-4-11(2)16(8-10)14-6-5-13(15)7-12(14)9-17/h5-7,10-11,17H,3-4,8-9H2,1-2H3.
What are the key properties of [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol?
[5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,5-dimethylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114061417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).