methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride

C11H24Cl2N2O2 — CID 71756894

IUPACmethyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1CCN(CCCCN)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-15-11(14)10-4-8-13(9-5-10)7-3-2-6-12;;/h10H,2-9,12H2,1H3;2*1H
InChIKeyVCBXIDKIOJVAPA-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.45
Rot. Bonds5

About methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride

methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride (PubChem CID 71756894) has the molecular formula C11H24Cl2N2O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride
PubChem CID71756894
Molecular FormulaC11H24Cl2N2O2
Molecular Weight287.23 g/mol
Exact Mass286.12
IUPAC Namemethyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1CCN(CCCCN)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-15-11(14)10-4-8-13(9-5-10)7-3-2-6-12;;/h10H,2-9,12H2,1H3;2*1H
InChIKeyVCBXIDKIOJVAPA-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Methyl isonipecotate
CID 424914
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Methyl 1-(2-amino-2-oxoethyl)-4-piperidinecarboxylate
CID 1490557
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Tert-butyl 1-(2-aminoethyl)piperidine-4-carboxylate
CID 57040950
Methyl 3-fluoropiperidine-4-carboxylate hydrochloride
CID 84720949
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride?
The IUPAC name of methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride (CID 71756894) is methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride?
The canonical SMILES for methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride is COC(=O)C1CCN(CCCCN)CC1.Cl.Cl.
What is the InChIKey of methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride?
The InChIKey is VCBXIDKIOJVAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2ClH/c1-15-11(14)10-4-8-13(9-5-10)7-3-2-6-12;;/h10H,2-9,12H2,1H3;2*1H.
What are the key properties of methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride?
methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminobutyl)piperidine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 71756894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).