(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol

C14H22N2O — CID 83220027

IUPAC(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
SMILESCCC1CCC(C)N1c1ccc([C@H](C)O)cn1
InChIInChI=1S/C14H22N2O/c1-4-13-7-5-10(2)16(13)14-8-6-12(9-15-14)11(3)17/h6,8-11,13,17H,4-5,7H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyDPYOYCKDWIHPRA-AKJDGMEZSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds3

About (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol

(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol (PubChem CID 83220027) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
PubChem CID83220027
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol
SMILESCCC1CCC(C)N1c1ccc([C@H](C)O)cn1
InChIInChI=1S/C14H22N2O/c1-4-13-7-5-10(2)16(13)14-8-6-12(9-15-14)11(3)17/h6,8-11,13,17H,4-5,7H2,1-3H3/t10?,11-,13?/m0/s1
InChIKeyDPYOYCKDWIHPRA-AKJDGMEZSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9470
CID 9470
CID 11159325
CID 11159325
CID 23615292
CID 23615292
CID 10221435
CID 10221435
CID 11083942
CID 11083942
CID 432
CID 432
CID 66553066
CID 66553066
CID 10827876
CID 10827876
CID 155195495
CID 155195495
CID 89487738
CID 89487738
CID 2794829
CID 2794829
CID 2776465
CID 2776465

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol (CID 83220027) is (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol is CCC1CCC(C)N1c1ccc([C@H](C)O)cn1.
What is the InChIKey of (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol?
The InChIKey is DPYOYCKDWIHPRA-AKJDGMEZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-13-7-5-10(2)16(13)14-8-6-12(9-15-14)11(3)17/h6,8-11,13,17H,4-5,7H2,1-3H3/t10?,11-,13?/m0/s1.
What are the key properties of (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol?
(1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(2-ethyl-5-methylpyrrolidin-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 83220027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).