methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride

C13H27ClN2O2 — CID 120835310

IUPACmethyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN(C)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-10-15(3)11-5-8-14-9-6-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyFZRNWACQZRUPKA-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.68
Rot. Bonds5

About methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride

methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride (PubChem CID 120835310) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
PubChem CID120835310
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Namemethyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN(C)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-10-15(3)11-5-8-14-9-6-11;/h11,14H,5-10H2,1-4H3;1H
InChIKeyFZRNWACQZRUPKA-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619984
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
methyl 2,2-dimethyl-3-[methyl-(4-oxocyclohexyl)amino]propanoate
CID 79623383
methyl 2-methyl-4-[methyl(piperidin-4-yl)amino]but-2-enoate
CID 77075192
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
methyl 3-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619644
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride?
The IUPAC name of methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride (CID 120835310) is methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride.
What is the SMILES notation for methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride?
The canonical SMILES for methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride is COC(=O)C(C)(C)CCN(C)C1CCNCC1.Cl.
What is the InChIKey of methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride?
The InChIKey is FZRNWACQZRUPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-10-15(3)11-5-8-14-9-6-11;/h11,14H,5-10H2,1-4H3;1H.
What are the key properties of methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride?
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride is sourced from PubChem (CID 120835310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).