(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol

C13H18BrNO — CID 58042206

IUPAC(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
InChIKeyNJFZVKXMGAERSD-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.82
Rot. Bonds2

About (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol

(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol (PubChem CID 58042206) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
PubChem CID58042206
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
SMILESCN1CCC(C(O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
InChIKeyNJFZVKXMGAERSD-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
CID 83855930
benzyl 4-[(4-bromophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 71145589
[4-[4-[(4-bromophenyl)-hydroxymethyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
CID 511298
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
(1-methylpiperidin-4-yl)methanediol
CID 21366498
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol (CID 58042206) is (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol is CN1CCC(C(O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol?
The InChIKey is NJFZVKXMGAERSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol?
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol has a molecular weight of 284.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 58042206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).