4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol

C14H22N2O2 — CID 106586086

IUPAC4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCOCC1CCCN(Cc2cc(N)ccc2O)C1
InChIInChI=1S/C14H22N2O2/c1-18-10-11-3-2-6-16(8-11)9-12-7-13(15)4-5-14(12)17/h4-5,7,11,17H,2-3,6,8-10,15H2,1H3
InChIKeyBESYOVAWYIMBQV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol

4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 106586086) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
PubChem CID106586086
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
SMILESCOCC1CCCN(Cc2cc(N)ccc2O)C1
InChIInChI=1S/C14H22N2O2/c1-18-10-11-3-2-6-16(8-11)9-12-7-13(15)4-5-14(12)17/h4-5,7,11,17H,2-3,6,8-10,15H2,1H3
InChIKeyBESYOVAWYIMBQV-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
5-bromo-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 106586019
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3-methylbenzenecarbothioamide
CID 106586961
methyl 2-amino-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoate
CID 106585977
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol (CID 106586086) is 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol is COCC1CCCN(Cc2cc(N)ccc2O)C1.
What is the InChIKey of 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is BESYOVAWYIMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-10-11-3-2-6-16(8-11)9-12-7-13(15)4-5-14(12)17/h4-5,7,11,17H,2-3,6,8-10,15H2,1H3.
What are the key properties of 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol?
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 106586086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).