2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol

C14H20Cl2N2O — CID 54917129

IUPAC2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
SMILESCCN1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-8,12,17,19H,2-6,9H2,1H3
InChIKeyWMIPSQCEOSGTLO-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.27
Rot. Bonds4

About 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol

2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 54917129) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
PubChem CID54917129
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
SMILESCCN1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C14H20Cl2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-8,12,17,19H,2-6,9H2,1H3
InChIKeyWMIPSQCEOSGTLO-UHFFFAOYSA-N
XLogP3.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.27
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-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
CID 56803551
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82974899
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
2,4-dichloro-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588001
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
CID 63478365
2-[4-[(5-chloro-3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 146104505

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol (CID 54917129) is 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol is CCN1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is WMIPSQCEOSGTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-2-18-5-3-12(4-6-18)17-9-10-7-11(15)8-13(16)14(10)19/h7-8,12,17,19H,2-6,9H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol?
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 303.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 54917129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).