[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol

C16H29NO2 — CID 116637254

IUPAC[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c18-13-15-6-2-1-5-10-17(15)14-7-11-19-16(12-14)8-3-4-9-16/h14-15,18H,1-13H2
InChIKeyMUJNCWNQBYJMEY-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.72
Rot. Bonds2

About [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol

[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol (PubChem CID 116637254) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
PubChem CID116637254
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c18-13-15-6-2-1-5-10-17(15)14-7-11-19-16(12-14)8-3-4-9-16/h14-15,18H,1-13H2
InChIKeyMUJNCWNQBYJMEY-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919663
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422

Frequently Asked Questions

What is the IUPAC name of [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol (CID 116637254) is [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol is OCC1CCCCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol?
The InChIKey is MUJNCWNQBYJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-13-15-6-2-1-5-10-17(15)14-7-11-19-16(12-14)8-3-4-9-16/h14-15,18H,1-13H2.
What are the key properties of [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol?
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol has a molecular weight of 267.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116637254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).