methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate

C17H34N2O2 — CID 83994946

IUPACmethyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
SMILESCCCCN1CC(CC(=O)OC)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-7-8-19-11-14(10-16(20)21-5)9-15(12-19)18-13-17(2,3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyQWCHBTCWEDOYSA-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.68
Rot. Bonds7

About methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate

methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate (PubChem CID 83994946) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
PubChem CID83994946
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
SMILESCCCCN1CC(CC(=O)OC)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-7-8-19-11-14(10-16(20)21-5)9-15(12-19)18-13-17(2,3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyQWCHBTCWEDOYSA-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate (CID 83994946) is methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate is CCCCN1CC(CC(=O)OC)CC(NCC(C)(C)C)C1.
What is the InChIKey of methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate?
The InChIKey is QWCHBTCWEDOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-7-8-19-11-14(10-16(20)21-5)9-15(12-19)18-13-17(2,3)4/h14-15,18H,6-13H2,1-5H3.
What are the key properties of methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate?
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate has a molecular weight of 298.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83994946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).