methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate

C17H34N2O2 — CID 64702654

IUPACmethyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCCC(C)(C)C1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-10-18-17(5,15(20)21-6)12-14(2)19-11-8-9-16(3,4)13-19/h14,18H,7-13H2,1-6H3
InChIKeyHJGFXZQWVOCUTQ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds7

About methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate

methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate (PubChem CID 64702654) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
PubChem CID64702654
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCCC(C)(C)C1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-10-18-17(5,15(20)21-6)12-14(2)19-11-8-9-16(3,4)13-19/h14,18H,7-13H2,1-6H3
InChIKeyHJGFXZQWVOCUTQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The IUPAC name of methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate (CID 64702654) is methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The canonical SMILES for methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate is CCCNC(C)(CC(C)N1CCCC(C)(C)C1)C(=O)OC.
What is the InChIKey of methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
The InChIKey is HJGFXZQWVOCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-10-18-17(5,15(20)21-6)12-14(2)19-11-8-9-16(3,4)13-19/h14,18H,7-13H2,1-6H3.
What are the key properties of methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate?
methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate is sourced from PubChem (CID 64702654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).