4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine

C17H25BrN2O — CID 60503694

IUPAC4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESBrc1cccc(CN2CCC(CN3CCOCC3)CC2)c1
InChIInChI=1S/C17H25BrN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2
InChIKeyGTMKDFWNTIIRQI-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.99
Rot. Bonds4

About 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine

4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 60503694) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
PubChem CID60503694
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESBrc1cccc(CN2CCC(CN3CCOCC3)CC2)c1
InChIInChI=1S/C17H25BrN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2
InChIKeyGTMKDFWNTIIRQI-UHFFFAOYSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901337
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
CID 142888836
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
1-[(3-bromophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 38097525
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine (CID 60503694) is 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine is Brc1cccc(CN2CCC(CN3CCOCC3)CC2)c1.
What is the InChIKey of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is GTMKDFWNTIIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c18-17-3-1-2-16(12-17)14-19-6-4-15(5-7-19)13-20-8-10-21-11-9-20/h1-3,12,15H,4-11,13-14H2.
What are the key properties of 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 353.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 60503694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).