1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol

C13H26N2O — CID 112628491

IUPAC1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCN2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-12(16)13-5-8-15(11-13)10-9-14-6-3-2-4-7-14/h12-13,16H,2-11H2,1H3
InChIKeyRHERGRJIVCLBMY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds4

About 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol

1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628491) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
PubChem CID112628491
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCN2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-12(16)13-5-8-15(11-13)10-9-14-6-3-2-4-7-14/h12-13,16H,2-11H2,1H3
InChIKeyRHERGRJIVCLBMY-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
[1-Cyclopentyl-3-(dimethylamino)piperidin-4-YL]methanol
CID 110197514
1-[1-[2-(Diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 110016856
2-Methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 17962737
2,3-Diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
1-(1-Propylpiperidin-4-yl)ethanol
CID 43498317
(1S)-1-(1-methylpiperidin-4-yl)ethan-1-ol
CID 47003493
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 59363464
1-[1-(2-Methylpropyl)piperidin-4-yl]ethanol
CID 59603503
[1-(3-Pyrrolidin-1-ylpropyl)piperidin-4-yl]methanol
CID 62019909

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol (CID 112628491) is 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCN2CCCCC2)C1.
What is the InChIKey of 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RHERGRJIVCLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(16)13-5-8-15(11-13)10-9-14-6-3-2-4-7-14/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).