1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol

C15H31NO2 — CID 15838352

IUPAC1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
SMILESCCCC(O)CC1CCCC(CC(O)CC)N1C
InChIInChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3
InChIKeyBXDMRIPPLXNONS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.55
Rot. Bonds7

About 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol

1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol (PubChem CID 15838352) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
PubChem CID15838352
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol
SMILESCCCC(O)CC1CCCC(CC(O)CC)N1C
InChIInChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3
InChIKeyBXDMRIPPLXNONS-UHFFFAOYSA-N
XLogP2.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CID 449293
8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 8424
2-Piperidineethanol, 1-methyl-
CID 98085
Sedridine
CID 164633
1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine
CID 398123
Tropine
CID 6101956
Pseudotropine hydrochloride
CID 200599
1-(Piperidin-2-yl)propan-2-ol
CID 12305987
3-Hydroxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
CID 13710638
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol?
The IUPAC name of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol (CID 15838352) is 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol is CCCC(O)CC1CCCC(CC(O)CC)N1C.
What is the InChIKey of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol?
The InChIKey is BXDMRIPPLXNONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol?
1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxybutyl)-1-methylpiperidin-2-yl]pentan-2-ol is sourced from PubChem (CID 15838352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).