1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol

C14H22N2O — CID 112585215

IUPAC1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)13-5-4-12(10-15-13)16-8-6-11(2)7-9-16/h4-5,10-11,14,17H,3,6-9H2,1-2H3
InChIKeyBMKIPUKWLUSLGU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds3

About 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol

1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 112585215) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID112585215
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O/c1-3-14(17)13-5-4-12(10-15-13)16-8-6-11(2)7-9-16/h4-5,10-11,14,17H,3,6-9H2,1-2H3
InChIKeyBMKIPUKWLUSLGU-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
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
(1S)-1-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]propan-1-ol
CID 103938404
(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
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol (CID 112585215) is 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCC(C)CC2)cn1.
What is the InChIKey of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is BMKIPUKWLUSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-14(17)13-5-4-12(10-15-13)16-8-6-11(2)7-9-16/h4-5,10-11,14,17H,3,6-9H2,1-2H3.
What are the key properties of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol?
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).