2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol

C11H19N3O — CID 82283979

IUPAC2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
SMILESOCC(c1cc[nH]c1)N1CCCNCC1
InChIInChI=1S/C11H19N3O/c15-9-11(10-2-4-13-8-10)14-6-1-3-12-5-7-14/h2,4,8,11-13,15H,1,3,5-7,9H2
InChIKeyNSPKKOKZYTVAPQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.34
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol

2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol (PubChem CID 82283979) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
PubChem CID82283979
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
SMILESOCC(c1cc[nH]c1)N1CCCNCC1
InChIInChI=1S/C11H19N3O/c15-9-11(10-2-4-13-8-10)14-6-1-3-12-5-7-14/h2,4,8,11-13,15H,1,3,5-7,9H2
InChIKeyNSPKKOKZYTVAPQ-UHFFFAOYSA-N
XLogP0.34
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-2-(3,5-dimethoxyphenyl)ethanol
CID 61050429
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183258
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605
(2S)-2-(3,5-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183163
2,6-dibromo-4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171182896
2-(1-methylpyrazol-4-yl)-2-piperazin-1-ylethanol
CID 61055312

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol (CID 82283979) is 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol is OCC(c1cc[nH]c1)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol?
The InChIKey is NSPKKOKZYTVAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-9-11(10-2-4-13-8-10)14-6-1-3-12-5-7-14/h2,4,8,11-13,15H,1,3,5-7,9H2.
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol?
2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 82283979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).