1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol

C13H19ClN2O — CID 114677683

IUPAC1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
SMILESCc1cc(N)c(Cl)cc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H19ClN2O/c1-8-5-11(15)10(14)6-12(8)16-4-3-13(17)9(2)7-16/h5-6,9,13,17H,3-4,7,15H2,1-2H3
InChIKeyALNIFIVKMKFSDY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.44
Rot. Bonds1

About 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol

1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol (PubChem CID 114677683) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
PubChem CID114677683
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
SMILESCc1cc(N)c(Cl)cc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H19ClN2O/c1-8-5-11(15)10(14)6-12(8)16-4-3-13(17)9(2)7-16/h5-6,9,13,17H,3-4,7,15H2,1-2H3
InChIKeyALNIFIVKMKFSDY-UHFFFAOYSA-N
XLogP2.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583
4-(4-tert-butylpiperidin-1-yl)-2-chloro-5-methylaniline
CID 115554840
[1-(4-amino-5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 21105355
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
CID 114677744
2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline
CID 113334378
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678499
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol (CID 114677683) is 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol is Cc1cc(N)c(Cl)cc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol?
The InChIKey is ALNIFIVKMKFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-5-11(15)10(14)6-12(8)16-4-3-13(17)9(2)7-16/h5-6,9,13,17H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol?
1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol has a molecular weight of 254.76 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).