2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol

C13H26N2O — CID 107229150

IUPAC2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol
SMILESCCC1CNCC1N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O/c1-2-12-8-14-9-13(12)15-6-3-4-11(10-15)5-7-16/h11-14,16H,2-10H2,1H3
InChIKeyNMTLBBKGUNAUFP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol

2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol (PubChem CID 107229150) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol
PubChem CID107229150
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol
SMILESCCC1CNCC1N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O/c1-2-12-8-14-9-13(12)15-6-3-4-11(10-15)5-7-16/h11-14,16H,2-10H2,1H3
InChIKeyNMTLBBKGUNAUFP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylpyrrolidin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 79025947
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
1-(4-ethylpyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751701
1-(4-ethylpyrrolidin-3-yl)-3-methoxy-3-methylpiperidine
CID 107396240
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)ethanol
CID 19426624
2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
CID 131171989
2-(azetidin-3-ylidene)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216932
1-(4-methylpiperidin-3-yl)-4-propylazepane
CID 66273079
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
1-cyclopropyl-3-ethylpiperidine
CID 76560892
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol (CID 107229150) is 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol is CCC1CNCC1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol?
The InChIKey is NMTLBBKGUNAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12-8-14-9-13(12)15-6-3-4-11(10-15)5-7-16/h11-14,16H,2-10H2,1H3.
What are the key properties of 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol?
2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylpyrrolidin-3-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).