9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C20H30N2O2 — CID 110156796

IUPAC9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1ccc(N3CCCC3)cc1)CC2
InChIInChI=1S/C20H30N2O2/c23-19-4-3-15-24-20(19)9-13-21(14-10-20)16-17-5-7-18(8-6-17)22-11-1-2-12-22/h5-8,19,23H,1-4,9-16H2
InChIKeyWSIHCGVKIQIXMM-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.79
Rot. Bonds3

About 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 110156796) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID110156796
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1ccc(N3CCCC3)cc1)CC2
InChIInChI=1S/C20H30N2O2/c23-19-4-3-15-24-20(19)9-13-21(14-10-20)16-17-5-7-18(8-6-17)22-11-1-2-12-22/h5-8,19,23H,1-4,9-16H2
InChIKeyWSIHCGVKIQIXMM-UHFFFAOYSA-N
XLogP2.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
(5S,6S)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156016
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124953153
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 77097043
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 91842518
N-[(4-acetamidophenyl)methyl]-2-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 124754716
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136

Frequently Asked Questions

What is the IUPAC name of 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 110156796) is 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is OC1CCCOC12CCN(Cc1ccc(N3CCCC3)cc1)CC2.
What is the InChIKey of 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is WSIHCGVKIQIXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19-4-3-15-24-20(19)9-13-21(14-10-20)16-17-5-7-18(8-6-17)22-11-1-2-12-22/h5-8,19,23H,1-4,9-16H2.
What are the key properties of 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 330.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 110156796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).