tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate

C15H30N2O3 — CID 66566034

IUPACtert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C1CCN(CCO)CC1
InChIInChI=1S/C15H30N2O3/c1-12(2)17(14(19)20-15(3,4)5)13-6-8-16(9-7-13)10-11-18/h12-13,18H,6-11H2,1-5H3
InChIKeyNVJUSGKRTMAKNY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate

tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate (PubChem CID 66566034) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
PubChem CID66566034
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C1CCN(CCO)CC1
InChIInChI=1S/C15H30N2O3/c1-12(2)17(14(19)20-15(3,4)5)13-6-8-16(9-7-13)10-11-18/h12-13,18H,6-11H2,1-5H3
InChIKeyNVJUSGKRTMAKNY-UHFFFAOYSA-N
XLogP2.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566035
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052
tert-butyl N-cyclopropyl-N-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]carbamate
CID 69406259
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
CID 165464943
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]piperidin-1-yl]acetic acid
CID 66566444
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 116502100
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate (CID 66566034) is tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)C1CCN(CCO)CC1.
What is the InChIKey of tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate?
The InChIKey is NVJUSGKRTMAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)17(14(19)20-15(3,4)5)13-6-8-16(9-7-13)10-11-18/h12-13,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate?
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate has a molecular weight of 286.42 g/mol, XLogP of 2.09, 4 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-4-yl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66566034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).