(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone

C16H21BrN2O — CID 119375691

IUPAC(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
SMILESNC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C16H21BrN2O/c17-13-4-2-12(3-5-13)16(8-1-9-16)15(20)19-10-6-14(18)7-11-19/h2-5,14H,1,6-11,18H2
InChIKeyYUHVPLISZBJVQF-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.82
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone

(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone (PubChem CID 119375691) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
PubChem CID119375691
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
SMILESNC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1
InChIInChI=1S/C16H21BrN2O/c17-13-4-2-12(3-5-13)16(8-1-9-16)15(20)19-10-6-14(18)7-11-19/h2-5,14H,1,6-11,18H2
InChIKeyYUHVPLISZBJVQF-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone (CID 119375691) is (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone is NC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone?
The InChIKey is YUHVPLISZBJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-13-4-2-12(3-5-13)16(8-1-9-16)15(20)19-10-6-14(18)7-11-19/h2-5,14H,1,6-11,18H2.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone?
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone has a molecular weight of 337.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone is sourced from PubChem (CID 119375691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).