ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride

C13H26Cl2N2O2 — CID 75531201

IUPACethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1CCN(C2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12;;/h11-12,14H,2-10H2,1H3;2*1H
InChIKeyGCLPMHPBTNQQCJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.86
Rot. Bonds3

About ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride

ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride (PubChem CID 75531201) has the molecular formula C13H26Cl2N2O2 and a molecular weight of 313.27 g/mol. Its IUPAC name is ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride
PubChem CID75531201
Molecular FormulaC13H26Cl2N2O2
Molecular Weight313.27 g/mol
Exact Mass312.14
IUPAC Nameethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1CCN(C2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C13H24N2O2.2ClH/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12;;/h11-12,14H,2-10H2,1H3;2*1H
InChIKeyGCLPMHPBTNQQCJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl [1,4'-bipiperidine]-4-carboxylate
CID 165902602
Ethyl 1-(2-aminoethyl)piperidine-4-carboxylate dihydrochloride
CID 46172885
Methyl 1-(3-aminopropyl)piperidine-4-carboxylate dihydrochloride
CID 54592919
Methyl 1-(4-aminobutyl)piperidine-4-carboxylate dihydrochloride
CID 71756894
Ethyl 1'-propyl-1,4'-bipiperidine-4-carboxylate
CID 2846626
Trifluoro-[[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-ium-1-yl]methyl]boranuide
CID 171740187
tert-Butyl 3',3'-difluoro-[1,4'-bipiperidine]-4-carboxylate
CID 172590012
Tert-butyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
CID 172590574
2-Methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
CID 172590623
Ethyl 1'-ethyl-1,4'-bipiperidine-4-carboxylate
CID 784282
1-(1-Methylpiperidin-4-yl)piperidin-1-ium-4-carboxylate
CID 28305676
Ethyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382726

Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride (CID 75531201) is ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride is CCOC(=O)C1CCN(C2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride?
The InChIKey is GCLPMHPBTNQQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.2ClH/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12;;/h11-12,14H,2-10H2,1H3;2*1H.
What are the key properties of ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride?
ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-4-ylpiperidine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 75531201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).