2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one

C18H27NO2 — CID 67329090

IUPAC2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)N1CCCCC1)c1ccc(CO)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-7-17(16-10-8-15(14-20)9-11-16)18(21)19-12-5-4-6-13-19/h8-11,17,20H,2-7,12-14H2,1H3
InChIKeyBTDGRHVTKABSNT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one

2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one (PubChem CID 67329090) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
PubChem CID67329090
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
SMILESCCCCC(C(=O)N1CCCCC1)c1ccc(CO)cc1
InChIInChI=1S/C18H27NO2/c1-2-3-7-17(16-10-8-15(14-20)9-11-16)18(21)19-12-5-4-6-13-19/h8-11,17,20H,2-7,12-14H2,1H3
InChIKeyBTDGRHVTKABSNT-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one (CID 67329090) is 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one is CCCCC(C(=O)N1CCCCC1)c1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one?
The InChIKey is BTDGRHVTKABSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-7-17(16-10-8-15(14-20)9-11-16)18(21)19-12-5-4-6-13-19/h8-11,17,20H,2-7,12-14H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one?
2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 67329090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).