2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol

C14H22N2O — CID 106953789

IUPAC2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
SMILESCc1cc(NCC2CCCCN2)c(C)cc1O
InChIInChI=1S/C14H22N2O/c1-10-8-14(17)11(2)7-13(10)16-9-12-5-3-4-6-15-12/h7-8,12,15-17H,3-6,9H2,1-2H3
InChIKeyMMSXJYNVICBBCE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds3

About 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol

2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol (PubChem CID 106953789) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
PubChem CID106953789
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
SMILESCc1cc(NCC2CCCCN2)c(C)cc1O
InChIInChI=1S/C14H22N2O/c1-10-8-14(17)11(2)7-13(10)16-9-12-5-3-4-6-15-12/h7-8,12,15-17H,3-6,9H2,1-2H3
InChIKeyMMSXJYNVICBBCE-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
N,4-dimethyl-3-(piperidin-2-ylmethylamino)benzamide
CID 106633432
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
CID 106637684
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol?
The IUPAC name of 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol (CID 106953789) is 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol?
The canonical SMILES for 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol is Cc1cc(NCC2CCCCN2)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol?
The InChIKey is MMSXJYNVICBBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-14(17)11(2)7-13(10)16-9-12-5-3-4-6-15-12/h7-8,12,15-17H,3-6,9H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol?
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol has a molecular weight of 234.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol is sourced from PubChem (CID 106953789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).