2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide

C14H19BrN2O2 — CID 91178141

IUPAC2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-13(18)10-17-8-6-14(19,7-9-17)11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18)
InChIKeyWQWWJYSZRABUCW-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide

2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide (PubChem CID 91178141) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide
PubChem CID91178141
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-16-13(18)10-17-8-6-14(19,7-9-17)11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18)
InChIKeyWQWWJYSZRABUCW-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzoylphenyl)-2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 22448009
2-[4-(4-benzylphenyl)-4-hydroxypiperidin-1-yl]-N-(1-methylcyclopropyl)acetamide
CID 23383909
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
CID 23935984
2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
CID 23383913
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
2-(azepan-1-yl)-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]acetamide
CID 46965059
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
4-(4-bromophenyl)-1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-ol
CID 30981687
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 1446584
N-(4-benzoylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 22448043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide (CID 91178141) is 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide?
The InChIKey is WQWWJYSZRABUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16-13(18)10-17-8-6-14(19,7-9-17)11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide?
2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide has a molecular weight of 327.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 91178141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).