2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol

C13H20N2O — CID 63325178

IUPAC2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN2CCCC(N)C2)c1
InChIInChI=1S/C13H20N2O/c1-10-4-5-13(16)11(7-10)8-15-6-2-3-12(14)9-15/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3
InChIKeyUVPIYEPCWUUVER-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds2

About 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol

2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol (PubChem CID 63325178) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
PubChem CID63325178
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN2CCCC(N)C2)c1
InChIInChI=1S/C13H20N2O/c1-10-4-5-13(16)11(7-10)8-15-6-2-3-12(14)9-15/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3
InChIKeyUVPIYEPCWUUVER-UHFFFAOYSA-N
XLogP1.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
CID 63325355
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol (CID 63325178) is 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol is Cc1ccc(O)c(CN2CCCC(N)C2)c1.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol?
The InChIKey is UVPIYEPCWUUVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-13(16)11(7-10)8-15-6-2-3-12(14)9-15/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3.
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol?
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol has a molecular weight of 220.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol is sourced from PubChem (CID 63325178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).