ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate

C14H28N2O4 — CID 60632844

IUPACethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(O)COC(C)C)CC1
InChIInChI=1S/C14H28N2O4/c1-4-19-14(18)16-7-5-12(6-8-16)15-9-13(17)10-20-11(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyMSGVKQOFPJKPMN-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.98
Rot. Bonds7

About ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate (PubChem CID 60632844) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
PubChem CID60632844
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nameethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(O)COC(C)C)CC1
InChIInChI=1S/C14H28N2O4/c1-4-19-14(18)16-7-5-12(6-8-16)15-9-13(17)10-20-11(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyMSGVKQOFPJKPMN-UHFFFAOYSA-N
XLogP0.98
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]piperidine-1-carboxylate
CID 7875002
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate (CID 60632844) is ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(O)COC(C)C)CC1.
What is the InChIKey of ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate?
The InChIKey is MSGVKQOFPJKPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-19-14(18)16-7-5-12(6-8-16)15-9-13(17)10-20-11(2)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 60632844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).