tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate

C17H34N2O2 — CID 54593220

IUPACtert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
SMILESCC(C)(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)11-13(14-9-7-8-10-18-14)12-19-15(20)21-17(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyKIMAVXXQFVORIO-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate

tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate (PubChem CID 54593220) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
PubChem CID54593220
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
SMILESCC(C)(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)11-13(14-9-7-8-10-18-14)12-19-15(20)21-17(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyKIMAVXXQFVORIO-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-4,4-dimethyl-2-[(2S)-piperidin-2-yl]pentyl]carbamate
CID 95241678
tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate
CID 54593232
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
tert-butyl N-[2-(piperidin-2-ylamino)ethyl]carbamate
CID 15503758
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
CID 86330307
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate (CID 54593220) is tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate is CC(C)(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1.
What is the InChIKey of tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate?
The InChIKey is KIMAVXXQFVORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)11-13(14-9-7-8-10-18-14)12-19-15(20)21-17(4,5)6/h13-14,18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate?
tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate is sourced from PubChem (CID 54593220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).