[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol

C14H25NO3 — CID 79920343

IUPAC[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H25NO3/c16-11-13-2-1-6-15(13)12-3-7-18-14(10-12)4-8-17-9-5-14/h12-13,16H,1-11H2
InChIKeySPDBQFPFFMQBRQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.17
Rot. Bonds2

About [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 79920343) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
PubChem CID79920343
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H25NO3/c16-11-13-2-1-6-15(13)12-3-7-18-14(10-12)4-8-17-9-5-14/h12-13,16H,1-11H2
InChIKeySPDBQFPFFMQBRQ-UHFFFAOYSA-N
XLogP1.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316834
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117

Frequently Asked Questions

What is the IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol (CID 79920343) is [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1C1CCOC2(CCOCC2)C1.
What is the InChIKey of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is SPDBQFPFFMQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-11-13-2-1-6-15(13)12-3-7-18-14(10-12)4-8-17-9-5-14/h12-13,16H,1-11H2.
What are the key properties of [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol?
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).