methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride

C12H25ClN2O2 — CID 120834476

IUPACmethyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN1CCC(N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,11(15)16-3)6-9-14-7-4-10(13)5-8-14;/h10H,4-9,13H2,1-3H3;1H
InChIKeyNQMYUANWJSOKKB-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds4

About methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride

methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride (PubChem CID 120834476) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
PubChem CID120834476
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Namemethyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CCN1CCC(N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,11(15)16-3)6-9-14-7-4-10(13)5-8-14;/h10H,4-9,13H2,1-3H3;1H
InChIKeyNQMYUANWJSOKKB-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
CID 120843527
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
CID 120837971
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120846804
2-(4-aminopiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724240
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride?
The IUPAC name of methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride (CID 120834476) is methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride.
What is the SMILES notation for methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride?
The canonical SMILES for methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride is COC(=O)C(C)(C)CCN1CCC(N)CC1.Cl.
What is the InChIKey of methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride?
The InChIKey is NQMYUANWJSOKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-12(2,11(15)16-3)6-9-14-7-4-10(13)5-8-14;/h10H,4-9,13H2,1-3H3;1H.
What are the key properties of methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride?
methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride is sourced from PubChem (CID 120834476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).