1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one

C17H32N2O2 — CID 70094133

IUPAC1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one
SMILESCCCC(C(=O)N1CCC(CCO)CC1)C1CCCNC1
InChIInChI=1S/C17H32N2O2/c1-2-4-16(15-5-3-9-18-13-15)17(21)19-10-6-14(7-11-19)8-12-20/h14-16,18,20H,2-13H2,1H3
InChIKeySFFIBXREOYPLHN-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.02
Rot. Bonds6

About 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one

1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one (PubChem CID 70094133) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one
PubChem CID70094133
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one
SMILESCCCC(C(=O)N1CCC(CCO)CC1)C1CCCNC1
InChIInChI=1S/C17H32N2O2/c1-2-4-16(15-5-3-9-18-13-15)17(21)19-10-6-14(7-11-19)8-12-20/h14-16,18,20H,2-13H2,1H3
InChIKeySFFIBXREOYPLHN-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one (CID 70094133) is 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one is CCCC(C(=O)N1CCC(CCO)CC1)C1CCCNC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one?
The InChIKey is SFFIBXREOYPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-4-16(15-5-3-9-18-13-15)17(21)19-10-6-14(7-11-19)8-12-20/h14-16,18,20H,2-13H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one?
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylpentan-1-one is sourced from PubChem (CID 70094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).