[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

C15H23BrN2O — CID 71836795

IUPAC[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)[C@@H]1CCN(Cc2ccccc2Br)C[C@@H]1CO
InChIInChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-5-3-4-6-14(12)16/h3-6,13,15,19H,7-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyKGRFHCNRSBJLLS-UKRRQHHQSA-N
MW327.27 g/mol
LogP2.19
Rot. Bonds4

About [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol

[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 71836795) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
PubChem CID71836795
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)[C@@H]1CCN(Cc2ccccc2Br)C[C@@H]1CO
InChIInChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-5-3-4-6-14(12)16/h3-6,13,15,19H,7-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyKGRFHCNRSBJLLS-UKRRQHHQSA-N
XLogP2.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 71830135
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
[(3S,4S)-1-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methanol
CID 91915680
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
3-[(3S,4R)-4-(dimethylamino)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 126463369
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (CID 71836795) is [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is CN(C)[C@@H]1CCN(Cc2ccccc2Br)C[C@@H]1CO.
What is the InChIKey of [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is KGRFHCNRSBJLLS-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-5-3-4-6-14(12)16/h3-6,13,15,19H,7-11H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
[(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 71836795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).