4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine

C19H27N3O3 — CID 127265641

IUPAC4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine
SMILESO=[N+]([O-])c1ccccc1C=CCN1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c23-22(24)19-8-2-1-6-18(19)7-4-10-20-9-3-5-17(15-20)16-21-11-13-25-14-12-21/h1-2,4,6-8,17H,3,5,9-16H2
InChIKeyBQJGZBZXJNBOMS-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.65
Rot. Bonds6

About 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine

4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine (PubChem CID 127265641) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine
PubChem CID127265641
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine
SMILESO=[N+]([O-])c1ccccc1C=CCN1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c23-22(24)19-8-2-1-6-18(19)7-4-10-20-9-3-5-17(15-20)16-21-11-13-25-14-12-21/h1-2,4,6-8,17H,3,5,9-16H2
InChIKeyBQJGZBZXJNBOMS-UHFFFAOYSA-N
XLogP2.65
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-ol
CID 2845971
1-[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 91943814
(2S)-2-ethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine
CID 757332
1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-2-carboxylic acid
CID 122040340
(2R,3R)-2-methyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidine-3-carboxylic acid
CID 122124801
1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 1376392
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
CID 25268897
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
N,N-dimethyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1-carboxamide
CID 75514792
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine (CID 127265641) is 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine is O=[N+]([O-])c1ccccc1C=CCN1CCCC(CN2CCOCC2)C1.
What is the InChIKey of 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine?
The InChIKey is BQJGZBZXJNBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-22(24)19-8-2-1-6-18(19)7-4-10-20-9-3-5-17(15-20)16-21-11-13-25-14-12-21/h1-2,4,6-8,17H,3,5,9-16H2.
What are the key properties of 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine?
4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine has a molecular weight of 345.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 127265641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).