6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol

C17H24N2O2 — CID 11323701

IUPAC6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
SMILESCN1CCC[C@H]1COc1cncc(C#CCCCCO)c1
InChIInChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
InChIKeyGJKKKELBGQEBIU-INIZCTEOSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds6

About 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol

6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol (PubChem CID 11323701) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol.

Molecular Properties

Compound Name6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
PubChem CID11323701
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
SMILESCN1CCC[C@H]1COc1cncc(C#CCCCCO)c1
InChIInChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
InChIKeyGJKKKELBGQEBIU-INIZCTEOSA-N
XLogP2.07
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The IUPAC name of 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol (CID 11323701) is 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol.
What is the SMILES notation for 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The canonical SMILES for 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol is CN1CCC[C@H]1COc1cncc(C#CCCCCO)c1.
What is the InChIKey of 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The InChIKey is GJKKKELBGQEBIU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1.
What are the key properties of 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol is sourced from PubChem (CID 11323701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).