1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine

C14H26N2O — CID 102896044

IUPAC1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H26N2O/c15-12-4-3-9-16(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11,15H2
InChIKeyHMWFXJQYHSRZMC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.90
Rot. Bonds2

About 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine (PubChem CID 102896044) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine
PubChem CID102896044
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine
SMILESNC1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H26N2O/c15-12-4-3-9-16(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11,15H2
InChIKeyHMWFXJQYHSRZMC-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine (CID 102896044) is 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine is NC1CCCN(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine?
The InChIKey is HMWFXJQYHSRZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-12-4-3-9-16(10-12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11,15H2.
What are the key properties of 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine?
1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 102896044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).