tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate

C16H32N2O3 — CID 66566035

IUPACtert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCCN1CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-13(2)18(15(20)21-16(3,4)5)12-14-8-6-7-9-17(14)10-11-19/h13-14,19H,6-12H2,1-5H3
InChIKeyFDDULIRXOXTDQS-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.48
Rot. Bonds5

About tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 66566035) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID66566035
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCCN1CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-13(2)18(15(20)21-16(3,4)5)12-14-8-6-7-9-17(14)10-11-19/h13-14,19H,6-12H2,1-5H3
InChIKeyFDDULIRXOXTDQS-UHFFFAOYSA-N
XLogP2.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide
CID 96554398
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
N-propan-2-yl-N-[(1-propylpiperidin-2-yl)methyl]acetamide
CID 163258053
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
CID 96553576
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566034
tert-butyl 2-[[[(2S)-2-aminopropanoyl]-propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 66564130
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]piperidin-1-yl]acetic acid
CID 66566444
tert-butyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553709
2-[2-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate (CID 66566035) is tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCCN1CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is FDDULIRXOXTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(2)18(15(20)21-16(3,4)5)12-14-8-6-7-9-17(14)10-11-19/h13-14,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 300.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66566035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).