[4-[di(piperidin-1-yl)methyl]phenyl]methanol

C18H28N2O — CID 76852408

IUPAC[4-[di(piperidin-1-yl)methyl]phenyl]methanol
SMILESOCc1ccc(C(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-15-16-7-9-17(10-8-16)18(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h7-10,18,21H,1-6,11-15H2
InChIKeySDTJYWHEJIWOPO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds4

About [4-[di(piperidin-1-yl)methyl]phenyl]methanol

[4-[di(piperidin-1-yl)methyl]phenyl]methanol (PubChem CID 76852408) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [4-[di(piperidin-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[di(piperidin-1-yl)methyl]phenyl]methanol
PubChem CID76852408
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[4-[di(piperidin-1-yl)methyl]phenyl]methanol
SMILESOCc1ccc(C(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-15-16-7-9-17(10-8-16)18(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h7-10,18,21H,1-6,11-15H2
InChIKeySDTJYWHEJIWOPO-UHFFFAOYSA-N
XLogP3.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[di(piperidin-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[di(piperidin-1-yl)methyl]phenyl]methanol (CID 76852408) is [4-[di(piperidin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[di(piperidin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[di(piperidin-1-yl)methyl]phenyl]methanol is OCc1ccc(C(N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of [4-[di(piperidin-1-yl)methyl]phenyl]methanol?
The InChIKey is SDTJYWHEJIWOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-15-16-7-9-17(10-8-16)18(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h7-10,18,21H,1-6,11-15H2.
What are the key properties of [4-[di(piperidin-1-yl)methyl]phenyl]methanol?
[4-[di(piperidin-1-yl)methyl]phenyl]methanol has a molecular weight of 288.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[di(piperidin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 76852408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).