ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol

C15H26N2O — CID 156652004

IUPACethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
SMILESCC.Cc1ccc(N2CCC(C(C)O)CC2)cn1
InChIInChI=1S/C13H20N2O.C2H6/c1-10-3-4-13(9-14-10)15-7-5-12(6-8-15)11(2)16;1-2/h3-4,9,11-12,16H,5-8H2,1-2H3;1-2H3
InChIKeyZNLLUJQAJCJOQU-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.01
Rot. Bonds2

About ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol

ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol (PubChem CID 156652004) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
PubChem CID156652004
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
SMILESCC.Cc1ccc(N2CCC(C(C)O)CC2)cn1
InChIInChI=1S/C13H20N2O.C2H6/c1-10-3-4-13(9-14-10)15-7-5-12(6-8-15)11(2)16;1-2/h3-4,9,11-12,16H,5-8H2,1-2H3;1-2H3
InChIKeyZNLLUJQAJCJOQU-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
CID 166682628
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
4-fluoro-1-(6-methyl-3-pyridinyl)piperidin-3-ol
CID 172576145
2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
CID 123718410
1-(6-methyl-3-pyridinyl)-4-(4-propan-2-ylphenyl)piperazine
CID 177267335
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol?
The IUPAC name of ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol (CID 156652004) is ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol.
What is the SMILES notation for ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol?
The canonical SMILES for ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol is CC.Cc1ccc(N2CCC(C(C)O)CC2)cn1.
What is the InChIKey of ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol?
The InChIKey is ZNLLUJQAJCJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C2H6/c1-10-3-4-13(9-14-10)15-7-5-12(6-8-15)11(2)16;1-2/h3-4,9,11-12,16H,5-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol?
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol has a molecular weight of 250.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 156652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).