(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone

C18H19BrN2O2 — CID 119381238

IUPAC(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1
InChIInChI=1S/C18H19BrN2O2/c19-14-3-1-5-17(11-14)23-16-8-6-13(7-9-16)18(22)21-10-2-4-15(20)12-21/h1,3,5-9,11,15H,2,4,10,12,20H2
InChIKeyQYHHZYMTVNAVTC-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.80
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone

(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone (PubChem CID 119381238) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
PubChem CID119381238
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1
InChIInChI=1S/C18H19BrN2O2/c19-14-3-1-5-17(11-14)23-16-8-6-13(7-9-16)18(22)21-10-2-4-15(20)12-21/h1,3,5-9,11,15H,2,4,10,12,20H2
InChIKeyQYHHZYMTVNAVTC-UHFFFAOYSA-N
XLogP3.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
CID 119380458
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
CID 124612110
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(3-fluorophenoxy)phenyl]methanone
CID 125147181
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone (CID 119381238) is (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone is NC1CCCN(C(=O)c2ccc(Oc3cccc(Br)c3)cc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone?
The InChIKey is QYHHZYMTVNAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-14-3-1-5-17(11-14)23-16-8-6-13(7-9-16)18(22)21-10-2-4-15(20)12-21/h1,3,5-9,11,15H,2,4,10,12,20H2.
What are the key properties of (3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone?
(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone has a molecular weight of 375.27 g/mol, XLogP of 3.80, 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)-[4-(3-bromophenoxy)phenyl]methanone is sourced from PubChem (CID 119381238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).