[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol

C16H29NO2 — CID 102902013

IUPAC[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CCC3(CCCCC3)O2)CCCNC1
InChIInChI=1S/C16H29NO2/c18-13-15(6-4-10-17-12-15)11-14-5-9-16(19-14)7-2-1-3-8-16/h14,17-18H,1-13H2
InChIKeyNOCCLQLWAHCTDR-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.62
Rot. Bonds3

About [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol

[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 102902013) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID102902013
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(CC2CCC3(CCCCC3)O2)CCCNC1
InChIInChI=1S/C16H29NO2/c18-13-15(6-4-10-17-12-15)11-14-5-9-16(19-14)7-2-1-3-8-16/h14,17-18H,1-13H2
InChIKeyNOCCLQLWAHCTDR-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902632
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111

Frequently Asked Questions

What is the IUPAC name of [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol (CID 102902013) is [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol is OCC1(CC2CCC3(CCCCC3)O2)CCCNC1.
What is the InChIKey of [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is NOCCLQLWAHCTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-13-15(6-4-10-17-12-15)11-14-5-9-16(19-14)7-2-1-3-8-16/h14,17-18H,1-13H2.
What are the key properties of [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol?
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 267.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 102902013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).