(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

C19H20BrNO — CID 24725191

IUPAC(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C19H20BrNO/c20-17-9-6-8-15(13-17)19(22)18-10-3-2-7-16(18)14-21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2
InChIKeyPPYBMWUCGNYYDW-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.67
Rot. Bonds4

About (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24725191) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24725191
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Br)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C19H20BrNO/c20-17-9-6-8-15(13-17)19(22)18-10-3-2-7-16(18)14-21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2
InChIKeyPPYBMWUCGNYYDW-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725532
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
(4-bromophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725476
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (CID 24725191) is (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Br)c1)c1ccccc1CN1CCCCC1.
What is the InChIKey of (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is PPYBMWUCGNYYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c20-17-9-6-8-15(13-17)19(22)18-10-3-2-7-16(18)14-21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2.
What are the key properties of (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 358.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).