2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol

C12H16Cl2N2O — CID 83007449

IUPAC2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNN1CCCCC1
InChIInChI=1S/C12H16Cl2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-7,15,17H,1-5,8H2
InChIKeyBESUPASSRLJNRG-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.19
Rot. Bonds3

About 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol

2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol (PubChem CID 83007449) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol
PubChem CID83007449
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNN1CCCCC1
InChIInChI=1S/C12H16Cl2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-7,15,17H,1-5,8H2
InChIKeyBESUPASSRLJNRG-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.19
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-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,4-dichloro-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916433
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635121
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
2,4-dichloro-6-[[(2S)-2-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 101475533
2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
CID 63478365
2,4-dichloro-6-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 66004538
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol (CID 83007449) is 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNN1CCCCC1.
What is the InChIKey of 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol?
The InChIKey is BESUPASSRLJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-10-6-9(12(17)11(14)7-10)8-15-16-4-2-1-3-5-16/h6-7,15,17H,1-5,8H2.
What are the key properties of 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol?
2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol has a molecular weight of 275.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(piperidin-1-ylamino)methyl]phenol is sourced from PubChem (CID 83007449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).