4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol

C18H29NO2 — CID 107912801

IUPAC4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCC2CCCCN2C)cc1
InChIInChI=1S/C18H29NO2/c1-15(20)6-7-16-8-10-18(11-9-16)21-14-12-17-5-3-4-13-19(17)2/h8-11,15,17,20H,3-7,12-14H2,1-2H3
InChIKeyISTZHIPOFWJBGT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.25
Rot. Bonds7

About 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol

4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol (PubChem CID 107912801) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
PubChem CID107912801
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCC2CCCCN2C)cc1
InChIInChI=1S/C18H29NO2/c1-15(20)6-7-16-8-10-18(11-9-16)21-14-12-17-5-3-4-13-19(17)2/h8-11,15,17,20H,3-7,12-14H2,1-2H3
InChIKeyISTZHIPOFWJBGT-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol (CID 107912801) is 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol is CC(O)CCc1ccc(OCCC2CCCCN2C)cc1.
What is the InChIKey of 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol?
The InChIKey is ISTZHIPOFWJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(20)6-7-16-8-10-18(11-9-16)21-14-12-17-5-3-4-13-19(17)2/h8-11,15,17,20H,3-7,12-14H2,1-2H3.
What are the key properties of 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol?
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol is sourced from PubChem (CID 107912801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).