tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate

C12H25N3O2 — CID 15503758

IUPACtert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCN1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-9-8-14-10-6-4-5-7-13-10/h10,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyILSUDENJLIOXFI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds4

About tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate

tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate (PubChem CID 15503758) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
PubChem CID15503758
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCCCN1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-9-8-14-10-6-4-5-7-13-10/h10,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyILSUDENJLIOXFI-UHFFFAOYSA-N
XLogP1.20
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
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tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
tert-butyl N-[2-[[2-(trifluoromethyl)cyclohexyl]amino]ethyl]carbamate
CID 115607086
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[(2R)-4,4-dimethyl-2-[(2S)-piperidin-2-yl]pentyl]carbamate
CID 95241678
tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
CID 54593220
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
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tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate (CID 15503758) is tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCCCN1.
What is the InChIKey of tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate?
The InChIKey is ILSUDENJLIOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-9-8-14-10-6-4-5-7-13-10/h10,13-14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 15503758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).