1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol

C16H29NO3 — CID 157039270

IUPAC1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC3(CCCC3)CC2)CC(O)C1O
InChIInChI=1S/C16H29NO3/c18-13-10-17(11-14(19)15(13)20)9-12-3-7-16(8-4-12)5-1-2-6-16/h12-15,18-20H,1-11H2
InChIKeyGYLIMOGXPDOWSK-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.14
Rot. Bonds2

About 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol

1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol (PubChem CID 157039270) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol
PubChem CID157039270
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC3(CCCC3)CC2)CC(O)C1O
InChIInChI=1S/C16H29NO3/c18-13-10-17(11-14(19)15(13)20)9-12-3-7-16(8-4-12)5-1-2-6-16/h12-15,18-20H,1-11H2
InChIKeyGYLIMOGXPDOWSK-UHFFFAOYSA-N
XLogP1.14
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-[(4,4-dichlorocyclohexyl)methyl]piperidine-3,4,5-triol
CID 166834243
2-cyclopentyl-1-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 157039323
2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 166834305
cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 170319473
N-cyclohexyl-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidine-1-carbothioamide
CID 166834272
2-spiro[4.5]decan-8-ylethanol
CID 126844404
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
1-(aminomethyl)piperidine-3,4,5-triol
CID 67340037
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-3,4-diol
CID 106674244
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635

Frequently Asked Questions

What is the IUPAC name of 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol?
The IUPAC name of 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol (CID 157039270) is 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol.
What is the SMILES notation for 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol?
The canonical SMILES for 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol is OC1CN(CC2CCC3(CCCC3)CC2)CC(O)C1O.
What is the InChIKey of 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol?
The InChIKey is GYLIMOGXPDOWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-13-10-17(11-14(19)15(13)20)9-12-3-7-16(8-4-12)5-1-2-6-16/h12-15,18-20H,1-11H2.
What are the key properties of 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol?
1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol has a molecular weight of 283.41 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[4.5]decan-8-ylmethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 157039270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).