3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane

C14H19NO — CID 87349860

IUPAC3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCCC(c1ccccc1)N1CCC2OC2C1
InChIInChI=1S/C14H19NO/c1-2-12(11-6-4-3-5-7-11)15-9-8-13-14(10-15)16-13/h3-7,12-14H,2,8-10H2,1H3
InChIKeyIIOPWKUIMOBCMN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds3

About 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane

3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane (PubChem CID 87349860) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
PubChem CID87349860
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
SMILESCCC(c1ccccc1)N1CCC2OC2C1
InChIInChI=1S/C14H19NO/c1-2-12(11-6-4-3-5-7-11)15-9-8-13-14(10-15)16-13/h3-7,12-14H,2,8-10H2,1H3
InChIKeyIIOPWKUIMOBCMN-UHFFFAOYSA-N
XLogP2.61
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
N,3-dimethyl-1-(1-phenylpropyl)piperidin-4-amine
CID 62304545
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
CID 67307313
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
(3S,4R)-4-phenyl-1-(1-phenylpropyl)pyrrolidin-3-amine;hydrochloride
CID 120761196

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane (CID 87349860) is 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane is CCC(c1ccccc1)N1CCC2OC2C1.
What is the InChIKey of 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The InChIKey is IIOPWKUIMOBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-12(11-6-4-3-5-7-11)15-9-8-13-14(10-15)16-13/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane has a molecular weight of 217.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 87349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).