1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol

C14H25NO2 — CID 102900018

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H25NO2/c16-12-4-9-15(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2
InChIKeyVLLXQHWJPNTDIB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol (PubChem CID 102900018) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
PubChem CID102900018
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
SMILESOC1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H25NO2/c16-12-4-9-15(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2
InChIKeyVLLXQHWJPNTDIB-UHFFFAOYSA-N
XLogP1.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526
N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 124862277
N'-hydroxy-2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanimidamide
CID 102898294
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 102901027
2-[1-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]piperidin-4-yl]-1,3-oxazole
CID 164637616
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107324451
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol (CID 102900018) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol is OC1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol?
The InChIKey is VLLXQHWJPNTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-12-4-9-15(10-5-12)11-13-3-8-14(17-13)6-1-2-7-14/h12-13,16H,1-11H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol has a molecular weight of 239.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 102900018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).