tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate

C14H29N3O2 — CID 163448402

IUPACtert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCC1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-11-10-16-9-6-12-4-7-15-8-5-12/h12,15-16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBEMFBBAOVYZGJT-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.49
Rot. Bonds6

About tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate

tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate (PubChem CID 163448402) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
PubChem CID163448402
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCC1CCNCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-11-10-16-9-6-12-4-7-15-8-5-12/h12,15-16H,4-11H2,1-3H3,(H,17,18)
InChIKeyBEMFBBAOVYZGJT-UHFFFAOYSA-N
XLogP1.49
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.49
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

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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(piperidin-4-ylmethyl)carbamimidoyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate (CID 163448402) is tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCCC1CCNCC1.
What is the InChIKey of tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate?
The InChIKey is BEMFBBAOVYZGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-11-10-16-9-6-12-4-7-15-8-5-12/h12,15-16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate?
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 163448402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).