1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride

C9H20Cl2N2O2 — CID 170911269

IUPAC1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2.2ClH/c10-4-1-5-11-6-2-8(3-7-11)9(12)13;;/h8H,1-7,10H2,(H,12,13);2*1H
InChIKeyZHTWHUJNKJOKSQ-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.98
Rot. Bonds4

About 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride

1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride (PubChem CID 170911269) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride
PubChem CID170911269
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Name1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2.2ClH/c10-4-1-5-11-6-2-8(3-7-11)9(12)13;;/h8H,1-7,10H2,(H,12,13);2*1H
InChIKeyZHTWHUJNKJOKSQ-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride?
The IUPAC name of 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride (CID 170911269) is 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride is Cl.Cl.NCCCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride?
The InChIKey is ZHTWHUJNKJOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c10-4-1-5-11-6-2-8(3-7-11)9(12)13;;/h8H,1-7,10H2,(H,12,13);2*1H.
What are the key properties of 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride?
1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)piperidine-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 170911269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).