[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol

C14H22N2O2 — CID 43134614

IUPAC[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(N)cc1CN1CCC(CO)CC1
InChIInChI=1S/C14H22N2O2/c1-18-14-3-2-13(15)8-12(14)9-16-6-4-11(10-17)5-7-16/h2-3,8,11,17H,4-7,9-10,15H2,1H3
InChIKeyYWMGDOTWPHVICP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds4

About [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol

[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 43134614) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID43134614
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(N)cc1CN1CCC(CO)CC1
InChIInChI=1S/C14H22N2O2/c1-18-14-3-2-13(15)8-12(14)9-16-6-4-11(10-17)5-7-16/h2-3,8,11,17H,4-7,9-10,15H2,1H3
InChIKeyYWMGDOTWPHVICP-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 43581167
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-methoxyaniline
CID 79940675
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883

Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol (CID 43134614) is [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol is COc1ccc(N)cc1CN1CCC(CO)CC1.
What is the InChIKey of [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is YWMGDOTWPHVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-3-2-13(15)8-12(14)9-16-6-4-11(10-17)5-7-16/h2-3,8,11,17H,4-7,9-10,15H2,1H3.
What are the key properties of [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol?
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43134614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).