2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol

C14H28N2O — CID 117237190

IUPAC2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
SMILESCCN1CCC(C(O)CN2CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-2-15-10-7-13(11-15)14(17)12-16-8-5-3-4-6-9-16/h13-14,17H,2-12H2,1H3
InChIKeyBNFXJPMDORXIBO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.57
Rot. Bonds4

About 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol

2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol (PubChem CID 117237190) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
PubChem CID117237190
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
SMILESCCN1CCC(C(O)CN2CCCCCC2)C1
InChIInChI=1S/C14H28N2O/c1-2-15-10-7-13(11-15)14(17)12-16-8-5-3-4-6-9-16/h13-14,17H,2-12H2,1H3
InChIKeyBNFXJPMDORXIBO-UHFFFAOYSA-N
XLogP1.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
CID 117237179
2-(1-ethylpyrrolidin-3-yl)-3-piperidin-1-ylpropan-1-ol
CID 117237653
1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
CID 117237155
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
1-(1,1-dioxothian-4-yl)-2-piperidin-1-ylethanol
CID 117238604
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 104752803
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol (CID 117237190) is 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol is CCN1CCC(C(O)CN2CCCCCC2)C1.
What is the InChIKey of 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol?
The InChIKey is BNFXJPMDORXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-15-10-7-13(11-15)14(17)12-16-8-5-3-4-6-9-16/h13-14,17H,2-12H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol?
2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117237190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).