2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol

C22H37NO — CID 21092695

IUPAC2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol
SMILESCC(C)(C)Cc1cc(CN2CCCCC2)cc(CC(C)(C)C)c1O
InChIInChI=1S/C22H37NO/c1-21(2,3)14-18-12-17(16-23-10-8-7-9-11-23)13-19(20(18)24)15-22(4,5)6/h12-13,24H,7-11,14-16H2,1-6H3
InChIKeyJLJDLZZZORIMFZ-UHFFFAOYSA-N
MW331.54 g/mol
LogP5.56
Rot. Bonds4

About 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol

2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol (PubChem CID 21092695) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol
PubChem CID21092695
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol
SMILESCC(C)(C)Cc1cc(CN2CCCCC2)cc(CC(C)(C)C)c1O
InChIInChI=1S/C22H37NO/c1-21(2,3)14-18-12-17(16-23-10-8-7-9-11-23)13-19(20(18)24)15-22(4,5)6/h12-13,24H,7-11,14-16H2,1-6H3
InChIKeyJLJDLZZZORIMFZ-UHFFFAOYSA-N
XLogP5.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-[[3-tert-butyl-2-hydroxy-5-(piperidin-1-ylmethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)phenol
CID 21053756
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
CID 169075487
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
4-[1-[3-(2,5-dihydropyrrol-1-ylmethyl)-4-hydroxy-5-(pyrrolidin-1-ylmethyl)phenyl]-1-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethyl]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 149343885
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
1,7-bis[4-hydroxy-3-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-4,4-dimethylheptane-3,5-dione
CID 25073858
2,6-ditert-butyl-4-[(4-methylpiperazin-1-yl)methyl]phenol
CID 751703
butyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate
CID 14547333

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol (CID 21092695) is 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol is CC(C)(C)Cc1cc(CN2CCCCC2)cc(CC(C)(C)C)c1O.
What is the InChIKey of 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol?
The InChIKey is JLJDLZZZORIMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-21(2,3)14-18-12-17(16-23-10-8-7-9-11-23)13-19(20(18)24)15-22(4,5)6/h12-13,24H,7-11,14-16H2,1-6H3.
What are the key properties of 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol?
2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol has a molecular weight of 331.54 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 21092695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).