4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine

C15H27BrN2O — CID 65002860

IUPAC4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine
SMILESBrCC1(CN2CCC(N3CCOCC3)C2)CCCC1
InChIInChI=1S/C15H27BrN2O/c16-12-15(4-1-2-5-15)13-17-6-3-14(11-17)18-7-9-19-10-8-18/h14H,1-13H2
InChIKeyDORXTABIHLVMPU-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.35
Rot. Bonds4

About 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine

4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine (PubChem CID 65002860) has the molecular formula C15H27BrN2O and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine
PubChem CID65002860
Molecular FormulaC15H27BrN2O
Molecular Weight331.30 g/mol
Exact Mass330.13
IUPAC Name4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine
SMILESBrCC1(CN2CCC(N3CCOCC3)C2)CCCC1
InChIInChI=1S/C15H27BrN2O/c16-12-15(4-1-2-5-15)13-17-6-3-14(11-17)18-7-9-19-10-8-18/h14H,1-13H2
InChIKeyDORXTABIHLVMPU-UHFFFAOYSA-N
XLogP2.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 65004210
2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934939
2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498306
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
CID 65009981
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-oxazepane
CID 65006636
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 65212460
2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103925
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine (CID 65002860) is 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine is BrCC1(CN2CCC(N3CCOCC3)C2)CCCC1.
What is the InChIKey of 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine?
The InChIKey is DORXTABIHLVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O/c16-12-15(4-1-2-5-15)13-17-6-3-14(11-17)18-7-9-19-10-8-18/h14H,1-13H2.
What are the key properties of 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine?
4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine has a molecular weight of 331.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 65002860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).