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

C11H22N2O3 — CID 112543627

IUPACethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCO)CN(C)C1
InChIInChI=1S/C11H22N2O3/c1-3-16-11(15)12-10-6-9(4-5-14)7-13(2)8-10/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyQPVGXFCAQQRNJI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds4

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

ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate (PubChem CID 112543627) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
PubChem CID112543627
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCO)CN(C)C1
InChIInChI=1S/C11H22N2O3/c1-3-16-11(15)12-10-6-9(4-5-14)7-13(2)8-10/h9-10,14H,3-8H2,1-2H3,(H,12,15)
InChIKeyQPVGXFCAQQRNJI-UHFFFAOYSA-N
XLogP0.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
CID 83989535
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate (CID 112543627) is ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(CCO)CN(C)C1.
What is the InChIKey of ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate?
The InChIKey is QPVGXFCAQQRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-16-11(15)12-10-6-9(4-5-14)7-13(2)8-10/h9-10,14H,3-8H2,1-2H3,(H,12,15).
What are the key properties of ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate?
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).