1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol

C14H22N2O2 — CID 102959840

IUPAC1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
SMILESCCC(O)c1ccc(N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-13(17)12-5-4-11(8-15-12)16-7-6-10(2)14(18)9-16/h4-5,8,10,13-14,17-18H,3,6-7,9H2,1-2H3
InChIKeyNQHAQAVZXLZORB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.73
Rot. Bonds3

About 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol

1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol (PubChem CID 102959840) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
PubChem CID102959840
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
SMILESCCC(O)c1ccc(N2CCC(C)C(O)C2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-13(17)12-5-4-11(8-15-12)16-7-6-10(2)14(18)9-16/h4-5,8,10,13-14,17-18H,3,6-7,9H2,1-2H3
InChIKeyNQHAQAVZXLZORB-UHFFFAOYSA-N
XLogP1.73
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
(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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
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-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-pyridinyl]propan-1-ol
CID 115940504
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol (CID 102959840) is 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol is CCC(O)c1ccc(N2CCC(C)C(O)C2)cn1.
What is the InChIKey of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol?
The InChIKey is NQHAQAVZXLZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-13(17)12-5-4-11(8-15-12)16-7-6-10(2)14(18)9-16/h4-5,8,10,13-14,17-18H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol?
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).