4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine

C17H23NO3 — CID 138973080

IUPAC4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1C1CC1CC1OCCO1
InChIInChI=1S/C17H23NO3/c1-3-15(18-5-7-19-8-6-18)4-2-13(1)16-11-14(16)12-17-20-9-10-21-17/h1-4,14,16-17H,5-12H2
InChIKeyBPIRMZZMBMXMTD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.39
Rot. Bonds4

About 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine

4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine (PubChem CID 138973080) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
PubChem CID138973080
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
SMILESc1cc(N2CCOCC2)ccc1C1CC1CC1OCCO1
InChIInChI=1S/C17H23NO3/c1-3-15(18-5-7-19-8-6-18)4-2-13(1)16-11-14(16)12-17-20-9-10-21-17/h1-4,14,16-17H,5-12H2
InChIKeyBPIRMZZMBMXMTD-UHFFFAOYSA-N
XLogP2.39
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 59628067
[5-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 25266081
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
4-(4-ethylphenyl)morpholine
CID 20576442
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine?
The IUPAC name of 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine (CID 138973080) is 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine is c1cc(N2CCOCC2)ccc1C1CC1CC1OCCO1.
What is the InChIKey of 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine?
The InChIKey is BPIRMZZMBMXMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-15(18-5-7-19-8-6-18)4-2-13(1)16-11-14(16)12-17-20-9-10-21-17/h1-4,14,16-17H,5-12H2.
What are the key properties of 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine?
4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine has a molecular weight of 289.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine is sourced from PubChem (CID 138973080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).