(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol

C16H25NO2 — CID 55190771

IUPAC(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
SMILESCc1ccc(OCCN2CCCCC2)c([C@H](C)O)c1
InChIInChI=1S/C16H25NO2/c1-13-6-7-16(15(12-13)14(2)18)19-11-10-17-8-4-3-5-9-17/h6-7,12,14,18H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyUMAPPBDPOXEUFJ-AWEZNQCLSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds5

About (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol

(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol (PubChem CID 55190771) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
PubChem CID55190771
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
SMILESCc1ccc(OCCN2CCCCC2)c([C@H](C)O)c1
InChIInChI=1S/C16H25NO2/c1-13-6-7-16(15(12-13)14(2)18)19-11-10-17-8-4-3-5-9-17/h6-7,12,14,18H,3-5,8-11H2,1-2H3/t14-/m0/s1
InChIKeyUMAPPBDPOXEUFJ-AWEZNQCLSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol (CID 55190771) is (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol is Cc1ccc(OCCN2CCCCC2)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol?
The InChIKey is UMAPPBDPOXEUFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-7-16(15(12-13)14(2)18)19-11-10-17-8-4-3-5-9-17/h6-7,12,14,18H,3-5,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol?
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 55190771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).