2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol

C17H28N2O — CID 164926788

IUPAC2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol
SMILESCC(C)Cc1ccc(N2CCCC(C(C)(C)O)C2)cn1
InChIInChI=1S/C17H28N2O/c1-13(2)10-15-7-8-16(11-18-15)19-9-5-6-14(12-19)17(3,4)20/h7-8,11,13-14,20H,5-6,9-10,12H2,1-4H3
InChIKeyAOEHGDMWKZKLHW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol

2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol (PubChem CID 164926788) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol
PubChem CID164926788
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol
SMILESCC(C)Cc1ccc(N2CCCC(C(C)(C)O)C2)cn1
InChIInChI=1S/C17H28N2O/c1-13(2)10-15-7-8-16(11-18-15)19-9-5-6-14(12-19)17(3,4)20/h7-8,11,13-14,20H,5-6,9-10,12H2,1-4H3
InChIKeyAOEHGDMWKZKLHW-UHFFFAOYSA-N
XLogP3.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
CID 139363260
1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
CID 172575874
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
CID 83128116
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
CID 166682628
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
CID 154780977
(3S,4S)-3-fluoro-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3R)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
CID 159921160

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol (CID 164926788) is 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol is CC(C)Cc1ccc(N2CCCC(C(C)(C)O)C2)cn1.
What is the InChIKey of 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol?
The InChIKey is AOEHGDMWKZKLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)10-15-7-8-16(11-18-15)19-9-5-6-14(12-19)17(3,4)20/h7-8,11,13-14,20H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol?
2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2-methylpropyl)-3-pyridinyl]piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 164926788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).