(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane

C16H24N2 — CID 97397493

IUPAC(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
SMILESCCN1CC[C@]12CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-2-18-13-10-16(18)9-12-17(14-16)11-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyZQOAVMWMIOCHFC-INIZCTEOSA-N
MW244.38 g/mol
LogP2.40
Rot. Bonds4

About (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane

(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane (PubChem CID 97397493) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
PubChem CID97397493
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
SMILESCCN1CC[C@]12CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H24N2/c1-2-18-13-10-16(18)9-12-17(14-16)11-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyZQOAVMWMIOCHFC-INIZCTEOSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
(3R)-3-(methoxymethyl)-2-methyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane
CID 97475640
1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
CID 71377991
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane (CID 97397493) is (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane is CCN1CC[C@]12CCN(CCc1ccccc1)C2.
What is the InChIKey of (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane?
The InChIKey is ZQOAVMWMIOCHFC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-18-13-10-16(18)9-12-17(14-16)11-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane?
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane has a molecular weight of 244.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97397493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).