(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C17H23BrN2O — CID 60776073

IUPAC(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H23BrN2O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2
InChIKeyNASMVEVIOORMAU-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.40
Rot. Bonds3

About (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 60776073) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID60776073
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H23BrN2O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2
InChIKeyNASMVEVIOORMAU-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422478
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 60776073) is (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccc1Br)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NASMVEVIOORMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-16-6-2-1-5-15(16)17(21)20-11-7-14(8-12-20)13-19-9-3-4-10-19/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 351.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60776073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).