3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol

C16H26N2O — CID 104736143

IUPAC3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cccnc1)N1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-16(4-2,18-10-5-6-11-18)15(19)12-14-8-7-9-17-13-14/h7-9,13,15,19H,3-6,10-12H2,1-2H3
InChIKeyDSXIPUQEBZSDSM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds6

About 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol

3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol (PubChem CID 104736143) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
PubChem CID104736143
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
SMILESCCC(CC)(C(O)Cc1cccnc1)N1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-16(4-2,18-10-5-6-11-18)15(19)12-14-8-7-9-17-13-14/h7-9,13,15,19H,3-6,10-12H2,1-2H3
InChIKeyDSXIPUQEBZSDSM-UHFFFAOYSA-N
XLogP2.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
CID 104735994
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 113446917
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
1-pyridin-3-ylpentan-2-ol
CID 62553061
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057135

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol?
The IUPAC name of 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol (CID 104736143) is 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol.
What is the SMILES notation for 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol?
The canonical SMILES for 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol is CCC(CC)(C(O)Cc1cccnc1)N1CCCC1.
What is the InChIKey of 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol?
The InChIKey is DSXIPUQEBZSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(4-2,18-10-5-6-11-18)15(19)12-14-8-7-9-17-13-14/h7-9,13,15,19H,3-6,10-12H2,1-2H3.
What are the key properties of 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol?
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol is sourced from PubChem (CID 104736143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).