(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone

C15H20BrNO2 — CID 46029100

IUPAC(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrNO2/c1-2-10-19-14-4-3-9-17(11-14)15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyFBWGVNFNBVPRJH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.48
Rot. Bonds4

About (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone

(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 46029100) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID46029100
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrNO2/c1-2-10-19-14-4-3-9-17(11-14)15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyFBWGVNFNBVPRJH-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207
5-[4-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 126452673
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone (CID 46029100) is (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is FBWGVNFNBVPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-10-19-14-4-3-9-17(11-14)15(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone?
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 326.23 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 46029100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).