2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol

C11H21N3O — CID 91361193

IUPAC2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol
SMILESOC/C(=N\C1CCCNC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-9-11(14-6-1-2-7-14)13-10-4-3-5-12-8-10/h10,12,15H,1-9H2/b13-11+
InChIKeyPLAUFUGLOPQSRR-ACCUITESSA-N
MW211.31 g/mol
LogP0.22
Rot. Bonds2

About 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol

2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol (PubChem CID 91361193) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol
PubChem CID91361193
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol
SMILESOC/C(=N\C1CCCNC1)N1CCCC1
InChIInChI=1S/C11H21N3O/c15-9-11(14-6-1-2-7-14)13-10-4-3-5-12-8-10/h10,12,15H,1-9H2/b13-11+
InChIKeyPLAUFUGLOPQSRR-ACCUITESSA-N
XLogP0.22
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[C-(hydroxymethyl)-N-piperidin-3-ylcarbonimidoyl]pyrrolidine-2-carboxylate
CID 91454243
2-methyl-N-piperidin-3-ylpentan-3-imine
CID 123827523
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
piperidine-1-carboxylic acid;[(3S)-piperidin-3-yl]methanol
CID 69280006
N-piperidin-3-ylmethanimine
CID 58804640
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol (CID 91361193) is 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol is OC/C(=N\C1CCCNC1)N1CCCC1.
What is the InChIKey of 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol?
The InChIKey is PLAUFUGLOPQSRR-ACCUITESSA-N. The full InChI is InChI=1S/C11H21N3O/c15-9-11(14-6-1-2-7-14)13-10-4-3-5-12-8-10/h10,12,15H,1-9H2/b13-11+.
What are the key properties of 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol?
2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol has a molecular weight of 211.31 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylimino-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 91361193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).