methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride

C15H31ClN2O2 — CID 120843527

IUPACmethyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
SMILESCNCCC1CCN(CCC(C)(C)C(=O)OC)CC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-15(2,14(18)19-4)8-12-17-10-6-13(7-11-17)5-9-16-3;/h13,16H,5-12H2,1-4H3;1H
InChIKeyDAJVAZTWJQOUIG-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.32
Rot. Bonds7

About methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride

methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride (PubChem CID 120843527) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
PubChem CID120843527
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC Namemethyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
SMILESCNCCC1CCN(CCC(C)(C)C(=O)OC)CC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-15(2,14(18)19-4)8-12-17-10-6-13(7-11-17)5-9-16-3;/h13,16H,5-12H2,1-4H3;1H
InChIKeyDAJVAZTWJQOUIG-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride with MolForge

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Related Compounds

methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
CID 120837971
2-[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843554
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
methyl 4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2,2-dimethylbutanoate;hydrochloride
CID 120844726
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride?
The IUPAC name of methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride (CID 120843527) is methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride.
What is the SMILES notation for methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride?
The canonical SMILES for methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride is CNCCC1CCN(CCC(C)(C)C(=O)OC)CC1.Cl.
What is the InChIKey of methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride?
The InChIKey is DAJVAZTWJQOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-15(2,14(18)19-4)8-12-17-10-6-13(7-11-17)5-9-16-3;/h13,16H,5-12H2,1-4H3;1H.
What are the key properties of methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride?
methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.32, 7 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-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride is sourced from PubChem (CID 120843527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).