(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C16H21BrN2O — CID 61041804

IUPAC(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H21BrN2O/c17-14-5-3-13(4-6-14)16(20)19-11-7-15(8-12-19)18-9-1-2-10-18/h3-6,15H,1-2,7-12H2
InChIKeyWMPTXERVFICGDJ-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.15
Rot. Bonds2

About (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61041804) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID61041804
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H21BrN2O/c17-14-5-3-13(4-6-14)16(20)19-11-7-15(8-12-19)18-9-1-2-10-18/h3-6,15H,1-2,7-12H2
InChIKeyWMPTXERVFICGDJ-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 61041804) is (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc(Br)cc1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is WMPTXERVFICGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-14-5-3-13(4-6-14)16(20)19-11-7-15(8-12-19)18-9-1-2-10-18/h3-6,15H,1-2,7-12H2.
What are the key properties of (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 337.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61041804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).