1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

C13H21N3O — CID 112626663

IUPAC1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCNCc1ccc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10(17)12-5-6-16(9-12)13-4-3-11(7-14-2)8-15-13/h3-4,8,10,12,14,17H,5-7,9H2,1-2H3
InChIKeyFWLDCQQEEBVZKS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.01
Rot. Bonds4

About 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 112626663) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID112626663
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCNCc1ccc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10(17)12-5-6-16(9-12)13-4-3-11(7-14-2)8-15-13/h3-4,8,10,12,14,17H,5-7,9H2,1-2H3
InChIKeyFWLDCQQEEBVZKS-UHFFFAOYSA-N
XLogP1.01
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856
1-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626053
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651
N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
1-[6-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 113419282
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 112626663) is 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is CNCc1ccc(N2CCC(C(C)O)C2)nc1.
What is the InChIKey of 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FWLDCQQEEBVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(17)12-5-6-16(9-12)13-4-3-11(7-14-2)8-15-13/h3-4,8,10,12,14,17H,5-7,9H2,1-2H3.
What are the key properties of 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).