2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol

C14H21NO — CID 82979989

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C14H21NO/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16/h3-6,16H,7-11H2,1-2H3
InChIKeyNCBSNFWVLFROCL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds2

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol

2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol (PubChem CID 82979989) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
PubChem CID82979989
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
SMILESCC1(C)CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C14H21NO/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16/h3-6,16H,7-11H2,1-2H3
InChIKeyNCBSNFWVLFROCL-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.01
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-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979917
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
4,4-dimethyl-1-[(2-nitrophenyl)methyl]piperidine
CID 174618434
3-[2-[(4,4-dimethylazepan-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 65282507
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
CID 82114659
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol (CID 82979989) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol is CC1(C)CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
The InChIKey is NCBSNFWVLFROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2)7-9-15(10-8-14)11-12-5-3-4-6-13(12)16/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol?
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 82979989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).