piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate

C11H23N3O2 — CID 130348715

IUPACpiperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NCCNC(=O)OC1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-7-8-14-11(15)16-10-3-5-12-6-4-10/h9-10,12-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCYEDLCYSLFTVTO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.46
Rot. Bonds5

About piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate

piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate (PubChem CID 130348715) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
PubChem CID130348715
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namepiperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate
SMILESCC(C)NCCNC(=O)OC1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)13-7-8-14-11(15)16-10-3-5-12-6-4-10/h9-10,12-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCYEDLCYSLFTVTO-UHFFFAOYSA-N
XLogP0.46
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.46
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

cyclobutyl N-(4-methylpentyl)carbamate
CID 164797189
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074
dipiperidin-4-yl carbonate
CID 129132812
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
CID 176952268
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
piperidin-4-yl 2-methylbutanoate
CID 18987401
cyclopropyl N-butylcarbamate
CID 165447718
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate?
The IUPAC name of piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate (CID 130348715) is piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate?
The canonical SMILES for piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate is CC(C)NCCNC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate?
The InChIKey is CYEDLCYSLFTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)13-7-8-14-11(15)16-10-3-5-12-6-4-10/h9-10,12-13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate?
piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-[2-(propan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 130348715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).