ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

C17H32N2O2 — CID 142372781

IUPACethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESC=C(O)C1CCN(C(=O)CN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C15H26N2O2.C2H6/c1-12-3-7-16(8-4-12)11-15(19)17-9-5-14(6-10-17)13(2)18;1-2/h12,14,18H,2-11H2,1H3;1-2H3
InChIKeyXSRFXXKGRRRWRF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.05
Rot. Bonds3

About ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 142372781) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID142372781
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESC=C(O)C1CCN(C(=O)CN2CCC(C)CC2)CC1.CC
InChIInChI=1S/C15H26N2O2.C2H6/c1-12-3-7-16(8-4-12)11-15(19)17-9-5-14(6-10-17)13(2)18;1-2/h12,14,18H,2-11H2,1H3;1-2H3
InChIKeyXSRFXXKGRRRWRF-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone 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-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 177010954
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 142372781) is ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is C=C(O)C1CCN(C(=O)CN2CCC(C)CC2)CC1.CC.
What is the InChIKey of ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XSRFXXKGRRRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.C2H6/c1-12-3-7-16(8-4-12)11-15(19)17-9-5-14(6-10-17)13(2)18;1-2/h12,14,18H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 296.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 142372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).