1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol

C13H26N2O — CID 117237179

IUPAC1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
SMILESCCN1CCC(C(O)CN2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-14-9-6-12(10-14)13(16)11-15-7-4-3-5-8-15/h12-13,16H,2-11H2,1H3
InChIKeyWRHLFATWZDHQNP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds4

About 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol

1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol (PubChem CID 117237179) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
PubChem CID117237179
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol
SMILESCCN1CCC(C(O)CN2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-2-14-9-6-12(10-14)13(16)11-15-7-4-3-5-8-15/h12-13,16H,2-11H2,1H3
InChIKeyWRHLFATWZDHQNP-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

2-(azepan-1-yl)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237190
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 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol (CID 117237179) is 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol is CCN1CCC(C(O)CN2CCCCC2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol?
The InChIKey is WRHLFATWZDHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-14-9-6-12(10-14)13(16)11-15-7-4-3-5-8-15/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol?
1-(1-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol 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-ethylpyrrolidin-3-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 117237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).