1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol

C12H23NO2 — CID 104752821

IUPAC1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
SMILESOC(CN1CCCOCC1)C1CCCC1
InChIInChI=1S/C12H23NO2/c14-12(11-4-1-2-5-11)10-13-6-3-8-15-9-7-13/h11-12,14H,1-10H2
InChIKeyQIBDNJKEJRFGDZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds3

About 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol

1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol (PubChem CID 104752821) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
PubChem CID104752821
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
SMILESOC(CN1CCCOCC1)C1CCCC1
InChIInChI=1S/C12H23NO2/c14-12(11-4-1-2-5-11)10-13-6-3-8-15-9-7-13/h11-12,14H,1-10H2
InChIKeyQIBDNJKEJRFGDZ-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 104746036
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
2-cyclobutyl-3-morpholin-4-ylpropan-1-ol
CID 117245621
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
1-cyclopentyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanol
CID 113449144
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 104752803
1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 104752985
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
1-(2-methylcyclopropyl)-2-morpholin-4-ylethanol
CID 123715170
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol?
The IUPAC name of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol (CID 104752821) is 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol is OC(CN1CCCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol?
The InChIKey is QIBDNJKEJRFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-12(11-4-1-2-5-11)10-13-6-3-8-15-9-7-13/h11-12,14H,1-10H2.
What are the key properties of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol?
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol is sourced from PubChem (CID 104752821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).