2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

C18H25BrN2O2 — CID 172901337

IUPAC2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCN(Cc2cccc(Br)c2)CC1)N1CCOCC1
InChIInChI=1S/C18H25BrN2O2/c19-17-3-1-2-16(12-17)14-20-6-4-15(5-7-20)13-18(22)21-8-10-23-11-9-21/h1-3,12,15H,4-11,13-14H2
InChIKeyLJXWUQSQGJRHIO-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172901337) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172901337
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCN(Cc2cccc(Br)c2)CC1)N1CCOCC1
InChIInChI=1S/C18H25BrN2O2/c19-17-3-1-2-16(12-17)14-20-6-4-15(5-7-20)13-18(22)21-8-10-23-11-9-21/h1-3,12,15H,4-11,13-14H2
InChIKeyLJXWUQSQGJRHIO-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 175649098
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
1-[(3-bromophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 38097525
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 6466812

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172901337) is 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is O=C(CC1CCN(Cc2cccc(Br)c2)CC1)N1CCOCC1.
What is the InChIKey of 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is LJXWUQSQGJRHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c19-17-3-1-2-16(12-17)14-20-6-4-15(5-7-20)13-18(22)21-8-10-23-11-9-21/h1-3,12,15H,4-11,13-14H2.
What are the key properties of 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 381.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172901337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).