piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride

C10H20ClNO2 — CID 175355615

IUPACpiperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
SMILESCC(C)(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)9(12)13-8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyGDBXQYUNZUFWLV-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.75
Rot. Bonds1

About piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride

piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride (PubChem CID 175355615) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
PubChem CID175355615
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namepiperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
SMILESCC(C)(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)9(12)13-8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyGDBXQYUNZUFWLV-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
tert-butyl piperidin-4-yl carbonate
CID 22078382
azepan-3-yl 2,2-dimethylpropanoate
CID 174683431
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
dipiperidin-4-yl carbonate
CID 129132812
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
ethane;piperidin-4-yl acetate
CID 144574283
pyrrolidin-3-yl 2,2,2-trichloroacetate;hydrochloride
CID 56829478
1,1-difluoro-2-oxo-2-piperidin-4-yloxyethanesulfonic acid
CID 89393960
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate
CID 174519514
piperidin-4-yl 2-methoxyacetate
CID 53410127

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride (CID 175355615) is piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride is CC(C)(C)C(=O)OC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride?
The InChIKey is GDBXQYUNZUFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,3)9(12)13-8-4-6-11-7-5-8;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride?
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 175355615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).