2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol

C16H24Cl2N2O — CID 60931668

IUPAC2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
SMILESCC(C)(C)N1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C16H24Cl2N2O/c1-16(2,3)20-6-4-13(5-7-20)19-10-11-8-12(17)9-14(18)15(11)21/h8-9,13,19,21H,4-7,10H2,1-3H3
InChIKeyASGRHQAWBMTMLU-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.05
Rot. Bonds3

About 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol

2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol (PubChem CID 60931668) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
PubChem CID60931668
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
SMILESCC(C)(C)N1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C16H24Cl2N2O/c1-16(2,3)20-6-4-13(5-7-20)19-10-11-8-12(17)9-14(18)15(11)21/h8-9,13,19,21H,4-7,10H2,1-3H3
InChIKeyASGRHQAWBMTMLU-UHFFFAOYSA-N
XLogP4.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.05
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

2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
2,4-dichloro-6-[[[1-(2-methoxyethyl)pyrrolidin-3-yl]amino]methyl]phenol
CID 56803551
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
tert-butyl 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103748570
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol (CID 60931668) is 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol is CC(C)(C)N1CCC(NCc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol?
The InChIKey is ASGRHQAWBMTMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-16(2,3)20-6-4-13(5-7-20)19-10-11-8-12(17)9-14(18)15(11)21/h8-9,13,19,21H,4-7,10H2,1-3H3.
What are the key properties of 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol?
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol has a molecular weight of 331.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 60931668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).