5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane

C14H19N — CID 142625115

IUPAC5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
SMILESC[C@H](c1ccccc1)N1CCC2(CC2)C1
InChIInChI=1S/C14H19N/c1-12(13-5-3-2-4-6-13)15-10-9-14(11-15)7-8-14/h2-6,12H,7-11H2,1H3/t12-/m1/s1
InChIKeyKTNJRIVXONMKSJ-GFCCVEGCSA-N
MW201.31 g/mol
LogP3.23
Rot. Bonds2

About 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane

5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane (PubChem CID 142625115) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
PubChem CID142625115
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
SMILESC[C@H](c1ccccc1)N1CCC2(CC2)C1
InChIInChI=1S/C14H19N/c1-12(13-5-3-2-4-6-13)15-10-9-14(11-15)7-8-14/h2-6,12H,7-11H2,1H3/t12-/m1/s1
InChIKeyKTNJRIVXONMKSJ-GFCCVEGCSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
methyl (3R)-3-fluoro-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 97184677
methyl 3-fluoro-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 169407977
4-methyl-1-(1-phenylethyl)azepan-4-ol
CID 107407753
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177
2-[3-methyl-1-(1-phenylethyl)piperidin-3-yl]acetic acid
CID 117013320
4-cyano-1-(1-phenylethyl)piperidine-4-carboxylic acid
CID 117008017
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane?
The IUPAC name of 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane (CID 142625115) is 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane is C[C@H](c1ccccc1)N1CCC2(CC2)C1.
What is the InChIKey of 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane?
The InChIKey is KTNJRIVXONMKSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N/c1-12(13-5-3-2-4-6-13)15-10-9-14(11-15)7-8-14/h2-6,12H,7-11H2,1H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane?
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane has a molecular weight of 201.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane is sourced from PubChem (CID 142625115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).