2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol

C15H22ClNO — CID 117117999

IUPAC2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1c(C)c(CC2CCCNC2)c(C)c(Cl)c1O
InChIInChI=1S/C15H22ClNO/c1-9-10(2)15(18)14(16)11(3)13(9)7-12-5-4-6-17-8-12/h12,17-18H,4-8H2,1-3H3
InChIKeyVFKSZVBNJYZUIR-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol

2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol (PubChem CID 117117999) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
PubChem CID117117999
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1c(C)c(CC2CCCNC2)c(C)c(Cl)c1O
InChIInChI=1S/C15H22ClNO/c1-9-10(2)15(18)14(16)11(3)13(9)7-12-5-4-6-17-8-12/h12,17-18H,4-8H2,1-3H3
InChIKeyVFKSZVBNJYZUIR-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]piperidine
CID 117118006
3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
CID 84800063
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[(4-chloro-2,3,5,6-tetrafluorophenyl)methyl]piperidine
CID 117118055
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474191
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol (CID 117117999) is 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol is Cc1c(C)c(CC2CCCNC2)c(C)c(Cl)c1O.
What is the InChIKey of 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is VFKSZVBNJYZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-9-10(2)15(18)14(16)11(3)13(9)7-12-5-4-6-17-8-12/h12,17-18H,4-8H2,1-3H3.
What are the key properties of 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 267.80 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 117117999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).