4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride

C9H23Cl2N3O2 — CID 174690434

IUPAC4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride
SMILESCCC.Cl.Cl.NNC1CCN(C(=O)O)CC1
InChIInChI=1S/C6H13N3O2.C3H8.2ClH/c7-8-5-1-3-9(4-2-5)6(10)11;1-3-2;;/h5,8H,1-4,7H2,(H,10,11);3H2,1-2H3;2*1H
InChIKeyDZUXSFIUBHPDAN-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.85
Rot. Bonds1

About 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride

4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride (PubChem CID 174690434) has the molecular formula C9H23Cl2N3O2 and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride.

Molecular Properties

Compound Name4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride
PubChem CID174690434
Molecular FormulaC9H23Cl2N3O2
Molecular Weight276.21 g/mol
Exact Mass275.12
IUPAC Name4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride
SMILESCCC.Cl.Cl.NNC1CCN(C(=O)O)CC1
InChIInChI=1S/C6H13N3O2.C3H8.2ClH/c7-8-5-1-3-9(4-2-5)6(10)11;1-3-2;;/h5,8H,1-4,7H2,(H,10,11);3H2,1-2H3;2*1H
InChIKeyDZUXSFIUBHPDAN-UHFFFAOYSA-N
XLogP1.85
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 67082647
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride?
The IUPAC name of 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride (CID 174690434) is 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride.
What is the SMILES notation for 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride?
The canonical SMILES for 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride is CCC.Cl.Cl.NNC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride?
The InChIKey is DZUXSFIUBHPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2.C3H8.2ClH/c7-8-5-1-3-9(4-2-5)6(10)11;1-3-2;;/h5,8H,1-4,7H2,(H,10,11);3H2,1-2H3;2*1H.
What are the key properties of 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride?
4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylpiperidine-1-carboxylic acid;propane;dihydrochloride is sourced from PubChem (CID 174690434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).