ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate

C14H28N2O3 — CID 61246563

IUPACethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CO)CC(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-4-19-14(18)16-7-5-12(6-8-16)15-13(10-17)9-11(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyLMTASZNZRHYZOP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.60
Rot. Bonds6

About ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate (PubChem CID 61246563) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
PubChem CID61246563
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(CO)CC(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-4-19-14(18)16-7-5-12(6-8-16)15-13(10-17)9-11(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyLMTASZNZRHYZOP-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate (CID 61246563) is ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(CO)CC(C)C)CC1.
What is the InChIKey of ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is LMTASZNZRHYZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-19-14(18)16-7-5-12(6-8-16)15-13(10-17)9-11(2)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 61246563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).