7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C16H29NO3 — CID 62204879

IUPAC7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCCC1CCN(C2CC3(CCC2O)OCCO3)CC1
InChIInChI=1S/C16H29NO3/c1-2-3-13-5-8-17(9-6-13)14-12-16(7-4-15(14)18)19-10-11-20-16/h13-15,18H,2-12H2,1H3
InChIKeyCKPGIMHMRSOSSM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.15
Rot. Bonds3

About 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol

7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 62204879) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID62204879
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCCCC1CCN(C2CC3(CCC2O)OCCO3)CC1
InChIInChI=1S/C16H29NO3/c1-2-3-13-5-8-17(9-6-13)14-12-16(7-4-15(14)18)19-10-11-20-16/h13-15,18H,2-12H2,1H3
InChIKeyCKPGIMHMRSOSSM-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62200558
(7S,8S)-7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 15177770
7-[3-(dimethylamino)pyrrolidin-1-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 63164876
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
2-(4-propylpiperidin-1-yl)cycloheptan-1-ol
CID 62205599
7-(1,3-dihydroisoindol-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 62230991
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79931334
7-(3-methoxy-3-methylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 107394567
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
4-(2-methylbutan-2-yl)-2-(4-propylpiperidin-1-yl)cyclohexan-1-ol
CID 63472120
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62090199

Frequently Asked Questions

What is the IUPAC name of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 62204879) is 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol is CCCC1CCN(C2CC3(CCC2O)OCCO3)CC1.
What is the InChIKey of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is CKPGIMHMRSOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-13-5-8-17(9-6-13)14-12-16(7-4-15(14)18)19-10-11-20-16/h13-15,18H,2-12H2,1H3.
What are the key properties of 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 283.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 62204879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).