9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

C20H30N2O — CID 91830355

IUPAC9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC(CN3CCOC4(CCCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2O/c1-2-6-18(7-3-1)14-21-11-8-19(15-21)16-22-12-13-23-20(17-22)9-4-5-10-20/h1-3,6-7,19H,4-5,8-17H2
InChIKeyOQIOZTYAHAORNP-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.15
Rot. Bonds4

About 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 91830355) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID91830355
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(CN2CCC(CN3CCOC4(CCCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2O/c1-2-6-18(7-3-1)14-21-11-8-19(15-21)16-22-12-13-23-20(17-22)9-4-5-10-20/h1-3,6-7,19H,4-5,8-17H2
InChIKeyOQIOZTYAHAORNP-UHFFFAOYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
CID 142015532
1-benzyl-3-propylpyrrolidine
CID 12648211
4-[(1-ethylpyrrolidin-3-yl)methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131907298

Frequently Asked Questions

What is the IUPAC name of 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (CID 91830355) is 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is c1ccc(CN2CCC(CN3CCOC4(CCCC4)C3)C2)cc1.
What is the InChIKey of 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is OQIOZTYAHAORNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-6-18(7-3-1)14-21-11-8-19(15-21)16-22-12-13-23-20(17-22)9-4-5-10-20/h1-3,6-7,19H,4-5,8-17H2.
What are the key properties of 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 314.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-benzylpyrrolidin-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 91830355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).