ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate

C15H28N2O2 — CID 83991501

IUPACethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OCC)CC(NC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-7-17-10-12(9-15(18)19-4-2)8-14(11-17)16-13-5-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyVHXYPZLBAZHNEE-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate

ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate (PubChem CID 83991501) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
PubChem CID83991501
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OCC)CC(NC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-7-17-10-12(9-15(18)19-4-2)8-14(11-17)16-13-5-6-13/h12-14,16H,3-11H2,1-2H3
InChIKeyVHXYPZLBAZHNEE-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
methyl 2-[1-(cyanomethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991965
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
1-cyclopropyl-2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83991509
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
2-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanol
CID 83991999
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate (CID 83991501) is ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate is CCCN1CC(CC(=O)OCC)CC(NC2CC2)C1.
What is the InChIKey of ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate?
The InChIKey is VHXYPZLBAZHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-7-17-10-12(9-15(18)19-4-2)8-14(11-17)16-13-5-6-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate?
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate is sourced from PubChem (CID 83991501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).