1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol

C16H32N2O2 — CID 107264247

IUPAC1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H32N2O2/c1-2-3-10-20-12-15(19)11-18-9-5-7-16(14-18)6-4-8-17-13-16/h15,17,19H,2-14H2,1H3
InChIKeyFTNHZGMWMHFZRF-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds7

About 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol

1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol (PubChem CID 107264247) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol
PubChem CID107264247
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H32N2O2/c1-2-3-10-20-12-15(19)11-18-9-5-7-16(14-18)6-4-8-17-13-16/h15,17,19H,2-14H2,1H3
InChIKeyFTNHZGMWMHFZRF-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropyl)-2,8-diazaspiro[5.5]undecane
CID 102850195
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874
1-(3-butoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107263583
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-(3-butoxy-2-hydroxypropyl)-4-methylpiperidine-4-carbonitrile
CID 107263200
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol (CID 107264247) is 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol is CCCCOCC(O)CN1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol?
The InChIKey is FTNHZGMWMHFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-10-20-12-15(19)11-18-9-5-7-16(14-18)6-4-8-17-13-16/h15,17,19H,2-14H2,1H3.
What are the key properties of 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol?
1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol is sourced from PubChem (CID 107264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).