(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone

C17H16BrClN2O2 — CID 119100578

IUPAC(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)21-9-6-12(7-10-21)23-16-5-8-20-11-15(16)19/h1-5,8,11-12H,6-7,9-10H2
InChIKeyWCDNLNHWZZOSPV-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.18
Rot. Bonds3

About (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone

(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 119100578) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID119100578
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)21-9-6-12(7-10-21)23-16-5-8-20-11-15(16)19/h1-5,8,11-12H,6-7,9-10H2
InChIKeyWCDNLNHWZZOSPV-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 121017833
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 119100273
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone (CID 119100578) is (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is WCDNLNHWZZOSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-14-4-2-1-3-13(14)17(22)21-9-6-12(7-10-21)23-16-5-8-20-11-15(16)19/h1-5,8,11-12H,6-7,9-10H2.
What are the key properties of (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 395.68 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 119100578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).