methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate

C14H28N2O3 — CID 112543038

IUPACmethyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
SMILESCCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1
InChIInChI=1S/C14H28N2O3/c1-5-16-8-11(7-13(17)10(2)3)6-12(9-16)15-14(18)19-4/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyGGFKUKNSXHGTKL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.46
Rot. Bonds5

About methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate

methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate (PubChem CID 112543038) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
PubChem CID112543038
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
SMILESCCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1
InChIInChI=1S/C14H28N2O3/c1-5-16-8-11(7-13(17)10(2)3)6-12(9-16)15-14(18)19-4/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyGGFKUKNSXHGTKL-UHFFFAOYSA-N
XLogP1.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl N-[1-ethyl-5-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
CID 112543025
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate (CID 112543038) is methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate is CCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
The InChIKey is GGFKUKNSXHGTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16-8-11(7-13(17)10(2)3)6-12(9-16)15-14(18)19-4/h10-13,17H,5-9H2,1-4H3,(H,15,18).
What are the key properties of methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate?
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).