1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol

C16H25NO2 — CID 103658614

IUPAC1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
SMILESCc1ccccc1OCCN1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO2/c1-13-5-3-4-6-16(13)19-12-11-17-9-7-15(8-10-17)14(2)18/h3-6,14-15,18H,7-12H2,1-2H3
InChIKeySBRLFEMVTFKNQP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol

1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol (PubChem CID 103658614) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
PubChem CID103658614
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
SMILESCc1ccccc1OCCN1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO2/c1-13-5-3-4-6-16(13)19-12-11-17-9-7-15(8-10-17)14(2)18/h3-6,14-15,18H,7-12H2,1-2H3
InChIKeySBRLFEMVTFKNQP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 110020455
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
4-[2-(2-methylphenoxy)ethyl]thiomorpholine
CID 86993650
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethoxy]-3-methoxybenzonitrile
CID 111448281
(R)-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 124751770

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol (CID 103658614) is 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol is Cc1ccccc1OCCN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol?
The InChIKey is SBRLFEMVTFKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-3-4-6-16(13)19-12-11-17-9-7-15(8-10-17)14(2)18/h3-6,14-15,18H,7-12H2,1-2H3.
What are the key properties of 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol?
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103658614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).