3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol

C16H25N3O2 — CID 78086171

IUPAC3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCOC1CC(O)C12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C16H25N3O2/c17-5-9-21-15-10-14(20)16(15)3-7-19(8-4-16)12-13-2-1-6-18-11-13/h1-2,6,11,14-15,20H,3-5,7-10,12,17H2
InChIKeyRTYPVWPIQHQYGF-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.77
Rot. Bonds5

About 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol

3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 78086171) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID78086171
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
SMILESNCCOC1CC(O)C12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C16H25N3O2/c17-5-9-21-15-10-14(20)16(15)3-7-19(8-4-16)12-13-2-1-6-18-11-13/h1-2,6,11,14-15,20H,3-5,7-10,12,17H2
InChIKeyRTYPVWPIQHQYGF-UHFFFAOYSA-N
XLogP0.77
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3S)-3-(2-aminoethoxy)-7-(2,1,3-benzothiadiazol-5-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
CID 70725923
(1S,3R)-3-(2-aminoethoxy)-7-(1-benzofuran-2-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
CID 133114365
(1R,3S)-3-(2-aminoethoxy)-7-[(2-methoxynaphthalen-1-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70784577
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 70772789
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide
CID 133122927
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 86283754
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(1R,3S)-7-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 70712874

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol (CID 78086171) is 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol is NCCOC1CC(O)C12CCN(Cc1cccnc1)CC2.
What is the InChIKey of 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is RTYPVWPIQHQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-5-9-21-15-10-14(20)16(15)3-7-19(8-4-16)12-13-2-1-6-18-11-13/h1-2,6,11,14-15,20H,3-5,7-10,12,17H2.
What are the key properties of 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol?
3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-7-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 78086171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).