[1-(2-ethylbutyl)piperidin-3-yl]methanol

C12H25NO — CID 82931010

IUPAC[1-(2-ethylbutyl)piperidin-3-yl]methanol
SMILESCCC(CC)CN1CCCC(CO)C1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)8-13-7-5-6-12(9-13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyYCBQRTBTSRNWEP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds5

About [1-(2-ethylbutyl)piperidin-3-yl]methanol

[1-(2-ethylbutyl)piperidin-3-yl]methanol (PubChem CID 82931010) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(2-ethylbutyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylbutyl)piperidin-3-yl]methanol
PubChem CID82931010
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(2-ethylbutyl)piperidin-3-yl]methanol
SMILESCCC(CC)CN1CCCC(CO)C1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)8-13-7-5-6-12(9-13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyYCBQRTBTSRNWEP-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
(3S)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one
CID 90039477
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
3-bromo-1-(2-ethylbutyl)piperidine
CID 82923780
3-chloro-1-(2-ethylbutyl)piperidine
CID 82924534
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylbutyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-ethylbutyl)piperidin-3-yl]methanol (CID 82931010) is [1-(2-ethylbutyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-ethylbutyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-ethylbutyl)piperidin-3-yl]methanol is CCC(CC)CN1CCCC(CO)C1.
What is the InChIKey of [1-(2-ethylbutyl)piperidin-3-yl]methanol?
The InChIKey is YCBQRTBTSRNWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(4-2)8-13-7-5-6-12(9-13)10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of [1-(2-ethylbutyl)piperidin-3-yl]methanol?
[1-(2-ethylbutyl)piperidin-3-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylbutyl)piperidin-3-yl]methanol is sourced from PubChem (CID 82931010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).