1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one

C19H30N2O2 — CID 83993717

IUPAC1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-2-7-19(23)21-14-17(10-6-11-22)12-18(15-21)20-13-16-8-4-3-5-9-16/h3-5,8-9,17-18,20,22H,2,6-7,10-15H2,1H3
InChIKeyNOOGXAJVLOXLTI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.57
Rot. Bonds8

About 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one

1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one (PubChem CID 83993717) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
PubChem CID83993717
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-2-7-19(23)21-14-17(10-6-11-22)12-18(15-21)20-13-16-8-4-3-5-9-16/h3-5,8-9,17-18,20,22H,2,6-7,10-15H2,1H3
InChIKeyNOOGXAJVLOXLTI-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one (CID 83993717) is 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(CCCO)CC(NCc2ccccc2)C1.
What is the InChIKey of 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one?
The InChIKey is NOOGXAJVLOXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-7-19(23)21-14-17(10-6-11-22)12-18(15-21)20-13-16-8-4-3-5-9-16/h3-5,8-9,17-18,20,22H,2,6-7,10-15H2,1H3.
What are the key properties of 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one?
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).