ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate

C15H28N2O2 — CID 115307352

IUPACethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)10-12(2)17-8-6-14(7-9-17)16-11-13-4-5-13/h12-14,16H,3-11H2,1-2H3
InChIKeyAZAHPIROKJMTEB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate

ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate (PubChem CID 115307352) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
PubChem CID115307352
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)10-12(2)17-8-6-14(7-9-17)16-11-13-4-5-13/h12-14,16H,3-11H2,1-2H3
InChIKeyAZAHPIROKJMTEB-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate (CID 115307352) is ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate is CCOC(=O)CC(C)N1CCC(NCC2CC2)CC1.
What is the InChIKey of ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate?
The InChIKey is AZAHPIROKJMTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-15(18)10-12(2)17-8-6-14(7-9-17)16-11-13-4-5-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate?
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate 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 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate is sourced from PubChem (CID 115307352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).