1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

C16H30N2O2 — CID 83198699

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCCC1CCO)C1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-16(2,13-6-5-9-17-12-13)15(20)18-10-4-3-7-14(18)8-11-19/h13-14,17,19H,3-12H2,1-2H3
InChIKeyCDACIUGKWSJOTP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 83198699) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID83198699
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCCC1CCO)C1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-16(2,13-6-5-9-17-12-13)15(20)18-10-4-3-7-14(18)8-11-19/h13-14,17,19H,3-12H2,1-2H3
InChIKeyCDACIUGKWSJOTP-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
2-(azetidin-3-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 116674562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one (CID 83198699) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)N1CCCCC1CCO)C1CCCNC1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is CDACIUGKWSJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,13-6-5-9-17-12-13)15(20)18-10-4-3-7-14(18)8-11-19/h13-14,17,19H,3-12H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83198699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).