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

C16H23Cl2NO — CID 82986743

IUPAC2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(2,3)12-4-6-19(7-5-12)10-11-8-13(17)9-14(18)15(11)20/h8-9,12,20H,4-7,10H2,1-3H3
InChIKeyQXHZCEGPILZAON-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.96
Rot. Bonds2

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

2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol (PubChem CID 82986743) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
PubChem CID82986743
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C16H23Cl2NO/c1-16(2,3)12-4-6-19(7-5-12)10-11-8-13(17)9-14(18)15(11)20/h8-9,12,20H,4-7,10H2,1-3H3
InChIKeyQXHZCEGPILZAON-UHFFFAOYSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065574
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 167819970
2,4-dichloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82977282
2,4-dichloro-6-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
CID 50968839
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
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-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
CID 82986532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol (CID 82986743) is 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol is CC(C)(C)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol?
The InChIKey is QXHZCEGPILZAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-16(2,3)12-4-6-19(7-5-12)10-11-8-13(17)9-14(18)15(11)20/h8-9,12,20H,4-7,10H2,1-3H3.
What are the key properties of 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol?
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol has a molecular weight of 316.27 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol is sourced from PubChem (CID 82986743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).