1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol

C12H24N2O — CID 103983594

IUPAC1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C2CCCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-10(15)11-5-8-14(9-11)12-3-2-6-13-7-4-12/h10-13,15H,2-9H2,1H3
InChIKeyKCCYYSOTVHJTEB-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds2

About 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol

1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103983594) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID103983594
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C2CCCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-10(15)11-5-8-14(9-11)12-3-2-6-13-7-4-12/h10-13,15H,2-9H2,1H3
InChIKeyKCCYYSOTVHJTEB-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
CID 129494886
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
1-(azepan-4-yl)-3-methylpiperidin-4-ol
CID 114683846
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936
(1-cyclobutylpyrrolidin-3-yl)methanediol
CID 167072287
4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497284
4-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497292
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 112626556
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 115965183
(3S,4S)-3-methyl-1-piperidin-4-ylpiperidin-4-ol
CID 129381092
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol (CID 103983594) is 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C2CCCNCC2)C1.
What is the InChIKey of 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is KCCYYSOTVHJTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15)11-5-8-14(9-11)12-3-2-6-13-7-4-12/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol?
1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103983594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).