ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate

C15H28N2O2 — CID 54894217

IUPACethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CC2)(C(=O)OCC)CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17-10-7-15(8-11-17,14(18)19-4-2)16-12-13-5-6-13/h13,16H,3-12H2,1-2H3
InChIKeyYAIWBPLBJPAYET-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate

ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate (PubChem CID 54894217) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
PubChem CID54894217
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CC2)(C(=O)OCC)CC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17-10-7-15(8-11-17,14(18)19-4-2)16-12-13-5-6-13/h13,16H,3-12H2,1-2H3
InChIKeyYAIWBPLBJPAYET-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 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate (CID 54894217) is ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate is CCCN1CCC(NCC2CC2)(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The InChIKey is YAIWBPLBJPAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-17-10-7-15(8-11-17,14(18)19-4-2)16-12-13-5-6-13/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate 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 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 54894217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).