[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol

C14H23N3O — CID 83122489

IUPAC[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCC2CO)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)14-7-6-12(9-16-14)17-8-4-5-13(17)10-18/h6-7,9,11,13,15,18H,3-5,8,10H2,1-2H3
InChIKeyCPUWXGNZBQWPQT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds5

About [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol

[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 83122489) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID83122489
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCC2CO)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)14-7-6-12(9-16-14)17-8-4-5-13(17)10-18/h6-7,9,11,13,15,18H,3-5,8,10H2,1-2H3
InChIKeyCPUWXGNZBQWPQT-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidin-2-yl]methanol
CID 83122235
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251
3-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122531
(1S)-1-[5-(2-ethylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132296
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83121863
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
1-[5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]-N-ethylethanamine
CID 83110270
1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
CID 83127474
3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122786
N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931
3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222

Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol (CID 83122489) is [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol is CCNC(C)c1ccc(N2CCCC2CO)cn1.
What is the InChIKey of [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is CPUWXGNZBQWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-11(2)14-7-6-12(9-16-14)17-8-4-5-13(17)10-18/h6-7,9,11,13,15,18H,3-5,8,10H2,1-2H3.
What are the key properties of [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 83122489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).