[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C17H24BrClN2O — CID 119562761

IUPAC[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.Cl
InChIInChI=1S/C17H23BrN2O.ClH/c1-19-15-7-11-20(12-8-15)16(21)17(9-2-10-17)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3;1H
InChIKeyOOIPUDUXUUBZOL-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.50
Rot. Bonds3

About [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119562761) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119562761
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.Cl
InChIInChI=1S/C17H23BrN2O.ClH/c1-19-15-7-11-20(12-8-15)16(21)17(9-2-10-17)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3;1H
InChIKeyOOIPUDUXUUBZOL-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119562761) is [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1.Cl.
What is the InChIKey of [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is OOIPUDUXUUBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c1-19-15-7-11-20(12-8-15)16(21)17(9-2-10-17)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3;1H.
What are the key properties of [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119562761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).