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

C15H23BrN2O — CID 156602321

IUPAC[1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccc(Br)cc2)CC1CO
InChIInChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-3-5-14(16)6-4-12/h3-6,13,15,19H,7-11H2,1-2H3
InChIKeyIKDIXNDXULNIHR-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.19
Rot. Bonds4

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

[1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (PubChem CID 156602321) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
PubChem CID156602321
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
SMILESCN(C)C1CCN(Cc2ccc(Br)cc2)CC1CO
InChIInChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-3-5-14(16)6-4-12/h3-6,13,15,19H,7-11H2,1-2H3
InChIKeyIKDIXNDXULNIHR-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
2-[4-[(4-Bromophenyl)methyl]piperazin-1-yl]ethanol
CID 768218
[(3S,4S)-4-Amino-1-benzylpiperidin-3-yl]methanol
CID 34181472
3-[2-(4-Bromophenyl)pyrrolidin-1-yl]propan-1-ol
CID 53524507
[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
[2-(4-Bromobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910413
1-(4-Bromobenzyl)piperidin-4-ol
CID 677772
1-[(4-Bromophenyl)methyl]piperidin-3-ol
CID 2838151
2-(4-(1-(4-Bromophenyl)ethyl)piperazin-1-yl)ethanol
CID 56788563
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

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol (CID 156602321) is [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is CN(C)C1CCN(Cc2ccc(Br)cc2)CC1CO.
What is the InChIKey of [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
The InChIKey is IKDIXNDXULNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17(2)15-7-8-18(10-13(15)11-19)9-12-3-5-14(16)6-4-12/h3-6,13,15,19H,7-11H2,1-2H3.
What are the key properties of [1-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol?
[1-[(4-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-[(4-bromophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 156602321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).