ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate

C14H28N2O3 — CID 112543725

IUPACethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C(C)O)CN(CC(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-5-19-14(18)15-13-6-12(11(4)17)8-16(9-13)7-10(2)3/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyAANQZZOEARUVHC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.46
Rot. Bonds5

About ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate

ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate (PubChem CID 112543725) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
PubChem CID112543725
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C(C)O)CN(CC(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-5-19-14(18)15-13-6-12(11(4)17)8-16(9-13)7-10(2)3/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyAANQZZOEARUVHC-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

ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
N-[1-ethyl-5-(1-hydroxyethyl)piperidin-3-yl]acetamide
CID 112541682
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
tert-butyl N-[1-(cyanomethyl)-5-(1-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544813
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate (CID 112543725) is ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(C(C)O)CN(CC(C)C)C1.
What is the InChIKey of ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The InChIKey is AANQZZOEARUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-19-14(18)15-13-6-12(11(4)17)8-16(9-13)7-10(2)3/h10-13,17H,5-9H2,1-4H3,(H,15,18).
What are the key properties of ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate?
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)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 ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).