2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol

C13H20N2O — CID 171314608

IUPAC2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
SMILESCc1ccc([C@H](N)C2CCNCC2)c(O)c1
InChIInChI=1S/C13H20N2O/c1-9-2-3-11(12(16)8-9)13(14)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7,14H2,1H3/t13-/m1/s1
InChIKeyVYZYRFZHJSTFTB-CYBMUJFWSA-N
MW220.32 g/mol
LogP1.70
Rot. Bonds2

About 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol

2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol (PubChem CID 171314608) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
PubChem CID171314608
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol
SMILESCc1ccc([C@H](N)C2CCNCC2)c(O)c1
InChIInChI=1S/C13H20N2O/c1-9-2-3-11(12(16)8-9)13(14)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7,14H2,1H3/t13-/m1/s1
InChIKeyVYZYRFZHJSTFTB-CYBMUJFWSA-N
XLogP1.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
4-[(2,4-dimethylphenyl)-fluoromethyl]piperidine
CID 112563629
2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-5-methylphenol
CID 171281745
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
(R)-(4-methylnaphthalen-1-yl)-piperidin-4-ylmethanamine
CID 171314485
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methylphenol;hydrochloride
CID 171270298
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol?
The IUPAC name of 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol (CID 171314608) is 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol.
What is the SMILES notation for 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol?
The canonical SMILES for 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol is Cc1ccc([C@H](N)C2CCNCC2)c(O)c1.
What is the InChIKey of 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol?
The InChIKey is VYZYRFZHJSTFTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-2-3-11(12(16)8-9)13(14)10-4-6-15-7-5-10/h2-3,8,10,13,15-16H,4-7,14H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol?
2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol has a molecular weight of 220.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(piperidin-4-yl)methyl]-5-methylphenol is sourced from PubChem (CID 171314608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).