5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol

C14H23N3O — CID 142890139

IUPAC5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
SMILESCC1CCN(CCNc2ccc(N)cc2O)CC1
InChIInChI=1S/C14H23N3O/c1-11-4-7-17(8-5-11)9-6-16-13-3-2-12(15)10-14(13)18/h2-3,10-11,16,18H,4-9,15H2,1H3
InChIKeyOBHPOOVLGNXFER-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol

5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol (PubChem CID 142890139) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol.

Molecular Properties

Compound Name5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
PubChem CID142890139
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol
SMILESCC1CCN(CCNc2ccc(N)cc2O)CC1
InChIInChI=1S/C14H23N3O/c1-11-4-7-17(8-5-11)9-6-16-13-3-2-12(15)10-14(13)18/h2-3,10-11,16,18H,4-9,15H2,1H3
InChIKeyOBHPOOVLGNXFER-UHFFFAOYSA-N
XLogP2.12
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,4-diamine
CID 61240847
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54807933
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 54806883
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107303497
4-chloro-5-fluoro-1-N-[2-(4-methylpiperidin-1-yl)ethyl]benzene-1,2-diamine
CID 66077222
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
ethyl 5-amino-2-(2-pyrrolidin-1-ylethylamino)benzoate
CID 62642562
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol?
The IUPAC name of 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol (CID 142890139) is 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol.
What is the SMILES notation for 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol?
The canonical SMILES for 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol is CC1CCN(CCNc2ccc(N)cc2O)CC1.
What is the InChIKey of 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol?
The InChIKey is OBHPOOVLGNXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-7-17(8-5-11)9-6-16-13-3-2-12(15)10-14(13)18/h2-3,10-11,16,18H,4-9,15H2,1H3.
What are the key properties of 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol?
5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol has a molecular weight of 249.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-methylpiperidin-1-yl)ethylamino]phenol is sourced from PubChem (CID 142890139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).