tert-butyl N-(1-piperidin-4-ylethylamino)carbamate

C12H25N3O2 — CID 130856094

IUPACtert-butyl N-(1-piperidin-4-ylethylamino)carbamate
SMILESCC(NNC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-9(10-5-7-13-8-6-10)14-15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyQRCLOENNYHPKCX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds3

About tert-butyl N-(1-piperidin-4-ylethylamino)carbamate

tert-butyl N-(1-piperidin-4-ylethylamino)carbamate (PubChem CID 130856094) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(1-piperidin-4-ylethylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-piperidin-4-ylethylamino)carbamate
PubChem CID130856094
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-(1-piperidin-4-ylethylamino)carbamate
SMILESCC(NNC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-9(10-5-7-13-8-6-10)14-15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16)
InChIKeyQRCLOENNYHPKCX-UHFFFAOYSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl N-[1-(4-aminocyclohexyl)ethyl]carbamate
CID 57465844
tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
CID 115052275
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163
tert-butyl N-[3-(1-piperidin-4-ylethoxy)phenyl]carbamate
CID 68568376
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
tert-butyl N-[4-(piperidin-4-ylmethylamino)butan-2-yl]carbamate
CID 107246993
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-[[cyclopropyl-(4-fluorophenyl)methyl]amino]carbamate
CID 107237014
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-piperidin-4-ylethylamino)carbamate?
The IUPAC name of tert-butyl N-(1-piperidin-4-ylethylamino)carbamate (CID 130856094) is tert-butyl N-(1-piperidin-4-ylethylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-piperidin-4-ylethylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-piperidin-4-ylethylamino)carbamate is CC(NNC(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-(1-piperidin-4-ylethylamino)carbamate?
The InChIKey is QRCLOENNYHPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(10-5-7-13-8-6-10)14-15-11(16)17-12(2,3)4/h9-10,13-14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(1-piperidin-4-ylethylamino)carbamate?
tert-butyl N-(1-piperidin-4-ylethylamino)carbamate has a molecular weight of 243.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-piperidin-4-ylethylamino)carbamate is sourced from PubChem (CID 130856094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).