1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride

C9H20Cl2N2O2 — CID 42962517

IUPAC1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride
SMILESCC(CN)OC(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-7(6-10)13-9(12)8-2-4-11-5-3-8;;/h7-8,11H,2-6,10H2,1H3;2*1H
InChIKeySEKPCJUROMDUJM-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.72
Rot. Bonds3

About 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride

1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride (PubChem CID 42962517) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Name1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride
PubChem CID42962517
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Name1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride
SMILESCC(CN)OC(=O)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-7(6-10)13-9(12)8-2-4-11-5-3-8;;/h7-8,11H,2-6,10H2,1H3;2*1H
InChIKeySEKPCJUROMDUJM-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Tert-butyl Piperidine-4-carboxylate
CID 1512676
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
Piperidine-4-carboxylic acid tert-butyl ester hydrochloride
CID 42614227
4-Piperidinylmethyl acetate hydrochloride
CID 53410152
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Propan-2-yl piperidine-4-carboxylate
CID 545822
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
Methyl 3-methoxypiperidine-4-carboxylate hydrochloride
CID 137951968

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride?
The IUPAC name of 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride (CID 42962517) is 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride.
What is the SMILES notation for 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride?
The canonical SMILES for 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride is CC(CN)OC(=O)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride?
The InChIKey is SEKPCJUROMDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-7(6-10)13-9(12)8-2-4-11-5-3-8;;/h7-8,11H,2-6,10H2,1H3;2*1H.
What are the key properties of 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride?
1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl piperidine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 42962517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).