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

C15H23BrN2O — CID 156602320

IUPAC[1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccccc2Br)CC1CO
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
InChIKeyKGRFHCNRSBJLLS-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.19
Rot. Bonds4

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

[1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 156602320) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
PubChem CID156602320
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccccc2Br)CC1CO
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
InChIKeyKGRFHCNRSBJLLS-UHFFFAOYSA-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

1-(3-Bromobenzyl)piperidin-4-ol
CID 765218
[(3S,4S)-4-Amino-1-benzylpiperidin-3-yl]methanol
CID 34181472
[1-[(4-Bromo-2-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 156602325
[1-[(3-Bromo-5-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 156602326
1-(4-Bromobenzyl)piperidin-4-ol
CID 677772
2-[4-[1-[(2-Bromophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 1334601
N-[1-[(2-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156601732
N-[1-[(3-bromophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156601734
[1-[(4-Bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 156602321
1-[(2-Bromo-4-fluorophenyl)methyl]piperidin-4-ol
CID 51075000
1-(2-Bromo-benzyl)-piperidin-4-ol
CID 677771
(2S,4R,6R)-1-benzyl-2-[(E)-2-(2-bromophenyl)ethenyl]-6-ethenylpiperidin-4-ol
CID 102324964

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (CID 156602320) is [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is CN(C)C1CCN(Cc2ccccc2Br)CC1CO.
What is the InChIKey of [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is KGRFHCNRSBJLLS-UHFFFAOYSA-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.
What are the key properties of [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
[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 [1-[(2-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 156602320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).