(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol

C14H22N2O2 — CID 113356003

IUPAC(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-12(8-15-13)16-7-6-11(9-16)10(2)17/h4-5,8,10-11,14,17-18H,3,6-7,9H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyMGVBUERIABHCFZ-QIMFLAQGSA-N
MW250.34 g/mol
LogP1.73
Rot. Bonds4

About (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol (PubChem CID 113356003) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
PubChem CID113356003
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-12(8-15-13)16-7-6-11(9-16)10(2)17/h4-5,8,10-11,14,17-18H,3,6-7,9H2,1-2H3/t10?,11?,14-/m1/s1
InChIKeyMGVBUERIABHCFZ-QIMFLAQGSA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1S)-1-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]propan-1-ol
CID 103938404
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495
1-[6-(1-hydroxypropyl)-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 115940404
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol (CID 113356003) is (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N2CCC(C(C)O)C2)cn1.
What is the InChIKey of (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol?
The InChIKey is MGVBUERIABHCFZ-QIMFLAQGSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(18)13-5-4-12(8-15-13)16-7-6-11(9-16)10(2)17/h4-5,8,10-11,14,17-18H,3,6-7,9H2,1-2H3/t10?,11?,14-/m1/s1.
What are the key properties of (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113356003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).