1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol

C20H38N2O — CID 56716999

IUPAC1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C20H38N2O/c1-16(2)15-19(23)17-5-13-22(14-6-17)18-3-7-20(8-4-18)9-11-21-12-10-20/h16-19,21,23H,3-15H2,1-2H3
InChIKeyCCIOYGFKQLQDDX-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.42
Rot. Bonds4

About 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol

1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 56716999) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID56716999
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C20H38N2O/c1-16(2)15-19(23)17-5-13-22(14-6-17)18-3-7-20(8-4-18)9-11-21-12-10-20/h16-19,21,23H,3-15H2,1-2H3
InChIKeyCCIOYGFKQLQDDX-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol
CID 95216595
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
ethane;9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641602
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-morpholin-4-ylmethanone;dihydrochloride
CID 154887650
N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine
CID 56719040
3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 169257836
N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
CID 114818937
1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
CID 103983594
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol (CID 56716999) is 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol is CC(C)CC(O)C1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is CCIOYGFKQLQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-16(2)15-19(23)17-5-13-22(14-6-17)18-3-7-20(8-4-18)9-11-21-12-10-20/h16-19,21,23H,3-15H2,1-2H3.
What are the key properties of 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 322.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-azaspiro[5.5]undecan-9-yl)piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 56716999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).