tert-butyl N-piperidin-1-ium-4-ylcarbamate

C10H21N2O2+ — CID 6927761

IUPACtert-butyl N-piperidin-1-ium-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyCKXZPVPIDOJLLM-UHFFFAOYSA-O
MW201.29 g/mol
LogP0.24
Rot. Bonds1

About tert-butyl N-piperidin-1-ium-4-ylcarbamate

tert-butyl N-piperidin-1-ium-4-ylcarbamate (PubChem CID 6927761) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is tert-butyl N-piperidin-1-ium-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-1-ium-4-ylcarbamate
PubChem CID6927761
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Nametert-butyl N-piperidin-1-ium-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyCKXZPVPIDOJLLM-UHFFFAOYSA-O
XLogP0.24
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
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tert-butyl N-(4-arsanylcyclohexyl)carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
CID 7412128
tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
CID 138714983
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-1-ium-4-ylcarbamate?
The IUPAC name of tert-butyl N-piperidin-1-ium-4-ylcarbamate (CID 6927761) is tert-butyl N-piperidin-1-ium-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-piperidin-1-ium-4-ylcarbamate?
The canonical SMILES for tert-butyl N-piperidin-1-ium-4-ylcarbamate is CC(C)(C)OC(=O)NC1CC[NH2+]CC1.
What is the InChIKey of tert-butyl N-piperidin-1-ium-4-ylcarbamate?
The InChIKey is CKXZPVPIDOJLLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1.
What are the key properties of tert-butyl N-piperidin-1-ium-4-ylcarbamate?
tert-butyl N-piperidin-1-ium-4-ylcarbamate has a molecular weight of 201.29 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-1-ium-4-ylcarbamate is sourced from PubChem (CID 6927761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).