(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C14H19BrN2O2 — CID 106835796

IUPAC(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-9(18)10-4-6-17(7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8-10,18H,4-7,16H2,1H3
InChIKeyUIXHTWIDFWYZER-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.26
Rot. Bonds2

About (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106835796) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106835796
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-9(18)10-4-6-17(7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8-10,18H,4-7,16H2,1H3
InChIKeyUIXHTWIDFWYZER-UHFFFAOYSA-N
XLogP2.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495489
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(4-amino-3-bromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79181385
(4-amino-3-bromophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220786
(4-fluoro-3-sulfanylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107037232
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 103677808

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106835796) is (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1.
What is the InChIKey of (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is UIXHTWIDFWYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(18)10-4-6-17(7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8-10,18H,4-7,16H2,1H3.
What are the key properties of (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 327.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106835796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).