ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate

C13H26N2O3 — CID 63383208

IUPACethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(CN)OCC)C1
InChIInChI=1S/C13H26N2O3/c1-3-17-12(8-14)10-15-7-5-6-11(9-15)13(16)18-4-2/h11-12H,3-10,14H2,1-2H3
InChIKeyYDMSMQMPTACCOM-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.63
Rot. Bonds7

About ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate

ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate (PubChem CID 63383208) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
PubChem CID63383208
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(CN)OCC)C1
InChIInChI=1S/C13H26N2O3/c1-3-17-12(8-14)10-15-7-5-6-11(9-15)13(16)18-4-2/h11-12H,3-10,14H2,1-2H3
InChIKeyYDMSMQMPTACCOM-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
ethyl (3R)-1-(2,2-dimethoxyethyl)piperidine-3-carboxylate
CID 115538052
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate (CID 63383208) is ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(CN)OCC)C1.
What is the InChIKey of ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate?
The InChIKey is YDMSMQMPTACCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-17-12(8-14)10-15-7-5-6-11(9-15)13(16)18-4-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate?
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 63383208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).