ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

C15H29N2O2+ — CID 6943301

IUPACethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([NH+]2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-19-15(18)16-7-5-14(6-8-16)17-10-12(2)9-13(3)11-17/h12-14H,4-11H2,1-3H3/p+1/t12-,13+
InChIKeyRIOABTFIOCQRDS-BETUJISGSA-O
MW269.41 g/mol
LogP1.17
Rot. Bonds2

About ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate (PubChem CID 6943301) has the molecular formula C15H29N2O2+ and a molecular weight of 269.41 g/mol. Its IUPAC name is ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate
PubChem CID6943301
Molecular FormulaC15H29N2O2+
Molecular Weight269.41 g/mol
Exact Mass269.22
IUPAC Nameethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([NH+]2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-19-15(18)16-7-5-14(6-8-16)17-10-12(2)9-13(3)11-17/h12-14H,4-11H2,1-3H3/p+1/t12-,13+
InChIKeyRIOABTFIOCQRDS-BETUJISGSA-O
XLogP1.17
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate 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

1-[4-(3,5-dimethylpiperidin-1-ium-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 4743806
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-fluorosulfonylpiperidine-1-carboxylate
CID 122236020
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate (CID 6943301) is ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC([NH+]2C[C@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate?
The InChIKey is RIOABTFIOCQRDS-BETUJISGSA-O. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-15(18)16-7-5-14(6-8-16)17-10-12(2)9-13(3)11-17/h12-14H,4-11H2,1-3H3/p+1/t12-,13+.
What are the key properties of ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate has a molecular weight of 269.41 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 6943301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).