[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol

C14H20BrNO — CID 117020724

IUPAC[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
SMILESCC1(C)CC(CO)CCN1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(2)9-11(10-17)6-7-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyJKFVJMJVXSAWGC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.44
Rot. Bonds2

About [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol

[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol (PubChem CID 117020724) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
PubChem CID117020724
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
SMILESCC1(C)CC(CO)CCN1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(2)9-11(10-17)6-7-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyJKFVJMJVXSAWGC-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3-bromophenyl)-2,2-dimethylpiperidin-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

(1-Phenylpiperidin-4-yl)methanol
CID 17768191
[1-(5-Bromo-2-fluorophenyl)pyrrolidin-3-yl]methanol
CID 64866678
1-(4-Bromo-3-fluorophenyl)-4-piperidinemethanol
CID 134562527
1-(4-Bromo-2-fluorophenyl)-4-piperidinemethanol
CID 134580118
1-(5-Bromo-2-fluorophenyl)-3-[2-(dimethylamino)ethyl]piperidin-2-ol
CID 141527431
[1-(4-Bromo-2-fluorophenyl)piperidin-4-yl]methanediol
CID 148301299
1-(4-Bromo-3-fluorophenyl)-4-(1-methoxyethyl)piperidine
CID 164093754
2-[1-(4-Bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol
CID 165371490
1-(3-Bromo-4-fluorophenyl)-4-(dimethoxymethyl)piperidine
CID 166461289
[4-(4-Bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol
CID 167104511
[1-(4-Bromo-2,6-difluorophenyl)piperidin-4-yl]methanol
CID 167463574
[1-(4-Bromophenyl)-4-fluoropiperidin-4-yl]methanol
CID 171063345

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol (CID 117020724) is [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol is CC1(C)CC(CO)CCN1c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol?
The InChIKey is JKFVJMJVXSAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2)9-11(10-17)6-7-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol?
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 117020724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).