1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one

C13H24N2O2 — CID 103356003

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1(O)CCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(17)6-9-15(10-13)12(16)3-2-11-4-7-14-8-5-11/h11,14,17H,2-10H2,1H3
InChIKeyPQTWCLARXZQYOU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds3

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 103356003) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID103356003
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1(O)CCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(17)6-9-15(10-13)12(16)3-2-11-4-7-14-8-5-11/h11,14,17H,2-10H2,1H3
InChIKeyPQTWCLARXZQYOU-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107392526
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107404314
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107219335
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
tert-butyl 4-hydroxy-4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 171485202
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one (CID 103356003) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one is CC1(O)CCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is PQTWCLARXZQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(17)6-9-15(10-13)12(16)3-2-11-4-7-14-8-5-11/h11,14,17H,2-10H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 103356003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).