[1-(2-ethylhexyl)piperidin-2-yl]methanol

C14H29NO — CID 62021752

IUPAC[1-(2-ethylhexyl)piperidin-2-yl]methanol
SMILESCCCCC(CC)CN1CCCCC1CO
InChIInChI=1S/C14H29NO/c1-3-5-8-13(4-2)11-15-10-7-6-9-14(15)12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyOSWPZLNPNVRCFH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds7

About [1-(2-ethylhexyl)piperidin-2-yl]methanol

[1-(2-ethylhexyl)piperidin-2-yl]methanol (PubChem CID 62021752) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-(2-ethylhexyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylhexyl)piperidin-2-yl]methanol
PubChem CID62021752
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-(2-ethylhexyl)piperidin-2-yl]methanol
SMILESCCCCC(CC)CN1CCCCC1CO
InChIInChI=1S/C14H29NO/c1-3-5-8-13(4-2)11-15-10-7-6-9-14(15)12-16/h13-14,16H,3-12H2,1-2H3
InChIKeyOSWPZLNPNVRCFH-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
CID 82929584
1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
CID 104627949
3-ethyl-2-(2-ethylhexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107818471
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637510

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-ethylhexyl)piperidin-2-yl]methanol (CID 62021752) is [1-(2-ethylhexyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-ethylhexyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-ethylhexyl)piperidin-2-yl]methanol is CCCCC(CC)CN1CCCCC1CO.
What is the InChIKey of [1-(2-ethylhexyl)piperidin-2-yl]methanol?
The InChIKey is OSWPZLNPNVRCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-8-13(4-2)11-15-10-7-6-9-14(15)12-16/h13-14,16H,3-12H2,1-2H3.
What are the key properties of [1-(2-ethylhexyl)piperidin-2-yl]methanol?
[1-(2-ethylhexyl)piperidin-2-yl]methanol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexyl)piperidin-2-yl]methanol is sourced from PubChem (CID 62021752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).