[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol

C14H21BrN2O — CID 117012693

IUPAC[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1(CO)CCCN(c2ccccc2Br)C1
InChIInChI=1S/C14H21BrN2O/c1-16(2)14(11-18)8-5-9-17(10-14)13-7-4-3-6-12(13)15/h3-4,6-7,18H,5,8-11H2,1-2H3
InChIKeyWPSASIJMOUHIBV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.34
Rot. Bonds3

About [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol

[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 117012693) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
PubChem CID117012693
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1(CO)CCCN(c2ccccc2Br)C1
InChIInChI=1S/C14H21BrN2O/c1-16(2)14(11-18)8-5-9-17(10-14)13-7-4-3-6-12(13)15/h3-4,6-7,18H,5,8-11H2,1-2H3
InChIKeyWPSASIJMOUHIBV-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
2-bromo-6-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 114888260
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
CID 117024252
[1-(2-bromophenyl)-4-fluoroazepan-4-yl]methanamine
CID 115053446

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol (CID 117012693) is [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol is CN(C)C1(CO)CCCN(c2ccccc2Br)C1.
What is the InChIKey of [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is WPSASIJMOUHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16(2)14(11-18)8-5-9-17(10-14)13-7-4-3-6-12(13)15/h3-4,6-7,18H,5,8-11H2,1-2H3.
What are the key properties of [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol?
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 117012693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).