cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

C16H28N2O2 — CID 155721055

IUPACcyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-12-10-15(19)6-9-18(12)11-13-4-7-17(8-5-13)16(20)14-2-3-14/h12-15,19H,2-11H2,1H3
InChIKeyLUJPXFQGNIYMPX-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.48
Rot. Bonds3

About cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 155721055) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID155721055
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c1-12-10-15(19)6-9-18(12)11-13-4-7-17(8-5-13)16(20)14-2-3-14/h12-15,19H,2-11H2,1H3
InChIKeyLUJPXFQGNIYMPX-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 171550650
(4-Hydroxypiperidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 84458625
1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]butan-1-one
CID 155286437
cyclopropyl-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286569
1-[4-[[(2R,3R,4R)-3,4-dihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 155302773
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017
2-Cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 155721028
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 155721096
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 155721126
Cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721174
Cyclopropyl-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157038925

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 155721055) is cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is CC1CC(O)CCN1CC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LUJPXFQGNIYMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-10-15(19)6-9-18(12)11-13-4-7-17(8-5-13)16(20)14-2-3-14/h12-15,19H,2-11H2,1H3.
What are the key properties of cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).