methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride

C10H22Cl2N2O2 — CID 54592919

IUPACmethyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1CCN(CCCN)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyIZOBOWZVXWXLCD-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.06
Rot. Bonds4

About methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride

methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride (PubChem CID 54592919) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride
PubChem CID54592919
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Namemethyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride
SMILESCOC(=O)C1CCN(CCCN)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;;/h9H,2-8,11H2,1H3;2*1H
InChIKeyIZOBOWZVXWXLCD-UHFFFAOYSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl isonipecotate
CID 424914
rac-methyl (3R,4R)-3-methylpiperidine-4-carboxylate hydrochloride
CID 14869355
Methyl 4-aminopiperidine-4-carboxylate dihydrochloride
CID 22907214
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
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Methyl 3,3-dimethylpiperidine-4-carboxylate hydrochloride
CID 121305790
Methyl 4-(propan-2-yl)piperidine-4-carboxylate hydrochloride
CID 154878796
1-Aminopropan-2-yl piperidine-4-carboxylate dihydrochloride
CID 42962517
Ethyl 1-(2-aminoethyl)piperidine-4-carboxylate dihydrochloride
CID 46172885
Methyl 1-(4-aminobutyl)piperidine-4-carboxylate dihydrochloride
CID 71756894

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride?
The IUPAC name of methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride (CID 54592919) is methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride?
The canonical SMILES for methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride is COC(=O)C1CCN(CCCN)CC1.Cl.Cl.
What is the InChIKey of methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride?
The InChIKey is IZOBOWZVXWXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11;;/h9H,2-8,11H2,1H3;2*1H.
What are the key properties of methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride?
methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-aminopropyl)piperidine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 54592919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).