2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol

C18H29NO — CID 117441142

IUPAC2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(CC2CCNCC2)c1O
InChIInChI=1S/C18H29NO/c1-12(2)15-5-6-16(13(3)4)18(20)17(15)11-14-7-9-19-10-8-14/h5-6,12-14,19-20H,7-11H2,1-4H3
InChIKeyOSMFGAAEXKYLMR-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds4

About 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol

2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol (PubChem CID 117441142) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol
PubChem CID117441142
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol
SMILESCC(C)c1ccc(C(C)C)c(CC2CCNCC2)c1O
InChIInChI=1S/C18H29NO/c1-12(2)15-5-6-16(13(3)4)18(20)17(15)11-14-7-9-19-10-8-14/h5-6,12-14,19-20H,7-11H2,1-4H3
InChIKeyOSMFGAAEXKYLMR-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol?
The IUPAC name of 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol (CID 117441142) is 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol is CC(C)c1ccc(C(C)C)c(CC2CCNCC2)c1O.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol?
The InChIKey is OSMFGAAEXKYLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12(2)15-5-6-16(13(3)4)18(20)17(15)11-14-7-9-19-10-8-14/h5-6,12-14,19-20H,7-11H2,1-4H3.
What are the key properties of 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol?
2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol has a molecular weight of 275.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-3,6-di(propan-2-yl)phenol is sourced from PubChem (CID 117441142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).