[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone

C19H20BrNO — CID 170459987

IUPAC[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3Br)c2)CC1
InChIInChI=1S/C19H20BrNO/c1-14-9-11-21(12-10-14)19(22)16-6-4-5-15(13-16)17-7-2-3-8-18(17)20/h2-8,13-14H,9-12H2,1H3
InChIKeyBAJVDPWNCXBXJN-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.99
Rot. Bonds2

About [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone

[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 170459987) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID170459987
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3Br)c2)CC1
InChIInChI=1S/C19H20BrNO/c1-14-9-11-21(12-10-14)19(22)16-6-4-5-15(13-16)17-7-2-3-8-18(17)20/h2-8,13-14H,9-12H2,1H3
InChIKeyBAJVDPWNCXBXJN-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459985
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-(4-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 24698917
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332252
(3-ethynylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170459136
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 170459987) is [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3ccccc3Br)c2)CC1.
What is the InChIKey of [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is BAJVDPWNCXBXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO/c1-14-9-11-21(12-10-14)19(22)16-6-4-5-15(13-16)17-7-2-3-8-18(17)20/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 358.28 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 170459987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).