(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H21BrN2O — CID 103495489

IUPAC(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-10(2)11-5-7-18(8-6-11)15(19)12-3-4-14(17)13(16)9-12/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeySNVKDCBWOHHOJW-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.54
Rot. Bonds2

About (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103495489) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103495489
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1
InChIInChI=1S/C15H21BrN2O/c1-10(2)11-5-7-18(8-6-11)15(19)12-3-4-14(17)13(16)9-12/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeySNVKDCBWOHHOJW-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835796
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
(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
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586
3-(4-propan-2-ylpiperidine-1-carbonyl)benzenecarbothioamide
CID 103495637
(3-amino-4-bromophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115958

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103495489) is (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccc(N)c(Br)c2)CC1.
What is the InChIKey of (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is SNVKDCBWOHHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(2)11-5-7-18(8-6-11)15(19)12-3-4-14(17)13(16)9-12/h3-4,9-11H,5-8,17H2,1-2H3.
What are the key properties of (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 325.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103495489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).