tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate

C18H36N2O2 — CID 54593232

IUPACtert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate
SMILESCCCC(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1
InChIInChI=1S/C18H36N2O2/c1-6-9-14(2)12-15(16-10-7-8-11-19-16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyUUPQLIXFBUTCRL-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.10
Rot. Bonds7

About tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate

tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate (PubChem CID 54593232) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate
PubChem CID54593232
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate
SMILESCCCC(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1
InChIInChI=1S/C18H36N2O2/c1-6-9-14(2)12-15(16-10-7-8-11-19-16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyUUPQLIXFBUTCRL-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
CID 54593220
tert-butyl N-[(2R)-4,4-dimethyl-2-[(2S)-piperidin-2-yl]pentyl]carbamate
CID 95241678
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
CID 107251414
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
CID 169113175
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-[(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-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate (CID 54593232) is tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate is CCCC(C)CC(CNC(=O)OC(C)(C)C)C1CCCCN1.
What is the InChIKey of tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate?
The InChIKey is UUPQLIXFBUTCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-9-14(2)12-15(16-10-7-8-11-19-16)13-20-17(21)22-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate?
tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-2-piperidin-2-ylheptyl)carbamate is sourced from PubChem (CID 54593232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).