methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate

C15H30N2O2 — CID 83995596

IUPACmethyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
SMILESCCCN1CC(NCCC(C)C)CC(C(=O)OC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-17-10-13(15(18)19-4)9-14(11-17)16-7-6-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyLDWXXXVHHVSQDZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds7

About methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate

methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate (PubChem CID 83995596) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
PubChem CID83995596
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
SMILESCCCN1CC(NCCC(C)C)CC(C(=O)OC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-17-10-13(15(18)19-4)9-14(11-17)16-7-6-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyLDWXXXVHHVSQDZ-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
CID 83996009
1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
CID 83996201
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
3-[3-methyl-5-(3-methylbutylamino)piperidin-1-yl]propanoic acid
CID 83996058

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate (CID 83995596) is methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate is CCCN1CC(NCCC(C)C)CC(C(=O)OC)C1.
What is the InChIKey of methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate?
The InChIKey is LDWXXXVHHVSQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-17-10-13(15(18)19-4)9-14(11-17)16-7-6-12(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate?
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate is sourced from PubChem (CID 83995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).