N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine

C20H37N3O — CID 56719040

IUPACN-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine
SMILESC1CC2(CCN1)CCC(NC1CCN(C3CCOCC3)CC1)CC2
InChIInChI=1S/C20H37N3O/c1-7-20(9-11-21-12-10-20)8-2-17(1)22-18-3-13-23(14-4-18)19-5-15-24-16-6-19/h17-19,21-22H,1-16H2
InChIKeyFMZBEDDMSBATQB-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.53
Rot. Bonds3

About N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine

N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56719040) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56719040
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC NameN-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine
SMILESC1CC2(CCN1)CCC(NC1CCN(C3CCOCC3)CC1)CC2
InChIInChI=1S/C20H37N3O/c1-7-20(9-11-21-12-10-20)8-2-17(1)22-18-3-13-23(14-4-18)19-5-15-24-16-6-19/h17-19,21-22H,1-16H2
InChIKeyFMZBEDDMSBATQB-UHFFFAOYSA-N
XLogP2.53
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine (CID 56719040) is N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine is C1CC2(CCN1)CCC(NC1CCN(C3CCOCC3)CC1)CC2.
What is the InChIKey of N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is FMZBEDDMSBATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-7-20(9-11-21-12-10-20)8-2-17(1)22-18-3-13-23(14-4-18)19-5-15-24-16-6-19/h17-19,21-22H,1-16H2.
What are the key properties of N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine?
N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 335.54 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)piperidin-4-yl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56719040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).