1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

C20H30N2O3 — CID 25460702

IUPAC1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c23-17-20(16-18-6-2-1-3-7-18)9-13-21(14-10-20)19(24)8-12-22-11-4-5-15-25-22/h1-3,6-7,23H,4-5,8-17H2
InChIKeyRZCCRJHHMOGUEK-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 25460702) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID25460702
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCC(CO)(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c23-17-20(16-18-6-2-1-3-7-18)9-13-21(14-10-20)19(24)8-12-22-11-4-5-15-25-22/h1-3,6-7,23H,4-5,8-17H2
InChIKeyRZCCRJHHMOGUEK-UHFFFAOYSA-N
XLogP2.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (CID 25460702) is 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCC(CO)(Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is RZCCRJHHMOGUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-17-20(16-18-6-2-1-3-7-18)9-13-21(14-10-20)19(24)8-12-22-11-4-5-15-25-22/h1-3,6-7,23H,4-5,8-17H2.
What are the key properties of 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 25460702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).