piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride

C11H24Cl2N2O2 — CID 173188799

IUPACpiperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)OC1CCNCC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-8(2)7-10(12)11(14)15-9-3-5-13-6-4-9;;/h8-10,13H,3-7,12H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyZDRNGCFCEZRTFB-XRIOVQLTSA-N
MW287.23 g/mol
LogP1.50
Rot. Bonds4

About piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride

piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride (PubChem CID 173188799) has the molecular formula C11H24Cl2N2O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
PubChem CID173188799
Molecular FormulaC11H24Cl2N2O2
Molecular Weight287.23 g/mol
Exact Mass286.12
IUPAC Namepiperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)OC1CCNCC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-8(2)7-10(12)11(14)15-9-3-5-13-6-4-9;;/h8-10,13H,3-7,12H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyZDRNGCFCEZRTFB-XRIOVQLTSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
(4-methylcyclohexyl) 2-amino-4-methylpentanoate
CID 61279653
piperidin-4-yl 2-methylbutanoate
CID 18987401
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
CID 89497653
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
dipiperidin-4-yl carbonate
CID 129132812
cyclopentyl (2S)-2-amino-3-methoxypropanoate
CID 122538889
ethane;piperidin-4-yl acetate
CID 144574283

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride?
The IUPAC name of piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride (CID 173188799) is piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride.
What is the SMILES notation for piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride?
The canonical SMILES for piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride is CC(C)C[C@H](N)C(=O)OC1CCNCC1.Cl.Cl.
What is the InChIKey of piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride?
The InChIKey is ZDRNGCFCEZRTFB-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H22N2O2.2ClH/c1-8(2)7-10(12)11(14)15-9-3-5-13-6-4-9;;/h8-10,13H,3-7,12H2,1-2H3;2*1H/t10-;;/m0../s1.
What are the key properties of piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride?
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride is sourced from PubChem (CID 173188799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).