[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

C15H22BrFN2O — CID 156602325

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccc(Br)cc2F)CC1CO
InChIInChI=1S/C15H22BrFN2O/c1-18(2)15-5-6-19(9-12(15)10-20)8-11-3-4-13(16)7-14(11)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3
InChIKeyCMVKQCLCMPRNBN-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.33
Rot. Bonds4

About [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 156602325) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
PubChem CID156602325
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccc(Br)cc2F)CC1CO
InChIInChI=1S/C15H22BrFN2O/c1-18(2)15-5-6-19(9-12(15)10-20)8-11-3-4-13(16)7-14(11)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3
InChIKeyCMVKQCLCMPRNBN-UHFFFAOYSA-N
XLogP2.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (CID 156602325) is [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is CN(C)C1CCN(Cc2ccc(Br)cc2F)CC1CO.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is CMVKQCLCMPRNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-18(2)15-5-6-19(9-12(15)10-20)8-11-3-4-13(16)7-14(11)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol has a molecular weight of 345.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 156602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).