3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol

C14H21NO — CID 84786990

IUPAC3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(C)c(CC2CCNCC2)c1O
InChIInChI=1S/C14H21NO/c1-10-3-4-11(2)14(16)13(10)9-12-5-7-15-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3
InChIKeyKJTLPVBHBQIJBE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds2

About 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol

3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 84786990) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID84786990
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1ccc(C)c(CC2CCNCC2)c1O
InChIInChI=1S/C14H21NO/c1-10-3-4-11(2)14(16)13(10)9-12-5-7-15-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3
InChIKeyKJTLPVBHBQIJBE-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84800086
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441142
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
4-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387720

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol (CID 84786990) is 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol is Cc1ccc(C)c(CC2CCNCC2)c1O.
What is the InChIKey of 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is KJTLPVBHBQIJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-4-11(2)14(16)13(10)9-12-5-7-15-8-6-12/h3-4,12,15-16H,5-9H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol?
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 219.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 84786990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).