tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate

C15H30N2O2 — CID 83982209

IUPACtert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
SMILESCCN1CCCCC1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-5-17-12-7-6-9-13(17)10-8-11-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyRHSNBWPFFYKEOQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate

tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate (PubChem CID 83982209) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
PubChem CID83982209
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
SMILESCCN1CCCCC1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-5-17-12-7-6-9-13(17)10-8-11-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyRHSNBWPFFYKEOQ-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
tert-butyl N-[3-[[N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886138
tert-butyl N-[3-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111370006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate (CID 83982209) is tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate is CCN1CCCCC1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate?
The InChIKey is RHSNBWPFFYKEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-17-12-7-6-9-13(17)10-8-11-16-14(18)19-15(2,3)4/h13H,5-12H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate?
tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate is sourced from PubChem (CID 83982209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).