(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride

C18H20BrClN2O2 — CID 119380458

IUPAC(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccccc2Oc2cccc(Br)c2)C1
InChIInChI=1S/C18H19BrN2O2.ClH/c19-13-5-3-7-15(11-13)23-17-9-2-1-8-16(17)18(22)21-10-4-6-14(20)12-21;/h1-3,5,7-9,11,14H,4,6,10,12,20H2;1H
InChIKeyLZIKTWLIUNCIJD-UHFFFAOYSA-N
MW411.73 g/mol
LogP4.23
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride (PubChem CID 119380458) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
PubChem CID119380458
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC Name(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccccc2Oc2cccc(Br)c2)C1
InChIInChI=1S/C18H19BrN2O2.ClH/c19-13-5-3-7-15(11-13)23-17-9-2-1-8-16(17)18(22)21-10-4-6-14(20)12-21;/h1-3,5,7-9,11,14H,4,6,10,12,20H2;1H
InChIKeyLZIKTWLIUNCIJD-UHFFFAOYSA-N
XLogP4.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
CID 119381238
[2-(3-bromophenoxy)phenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613114
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 166451673
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride (CID 119380458) is (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccccc2Oc2cccc(Br)c2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride?
The InChIKey is LZIKTWLIUNCIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2.ClH/c19-13-5-3-7-15(11-13)23-17-9-2-1-8-16(17)18(22)21-10-4-6-14(20)12-21;/h1-3,5,7-9,11,14H,4,6,10,12,20H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride has a molecular weight of 411.73 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119380458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).