1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol

C14H21NO2 — CID 47010589

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
SMILESCOc1ccc(C)cc1CN1CCC(O)CC1
InChIInChI=1S/C14H21NO2/c1-11-3-4-14(17-2)12(9-11)10-15-7-5-13(16)6-8-15/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyQCYVUEZOOLDIGR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol

1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol (PubChem CID 47010589) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
PubChem CID47010589
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
SMILESCOc1ccc(C)cc1CN1CCC(O)CC1
InChIInChI=1S/C14H21NO2/c1-11-3-4-14(17-2)12(9-11)10-15-7-5-13(16)6-8-15/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyQCYVUEZOOLDIGR-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol (CID 47010589) is 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol is COc1ccc(C)cc1CN1CCC(O)CC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is QCYVUEZOOLDIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-4-14(17-2)12(9-11)10-15-7-5-13(16)6-8-15/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol?
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 47010589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).