tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate

C15H30N2O2 — CID 157021829

IUPACtert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
SMILESCC(C)CN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)10-17(14(18)19-15(3,4)5)11-13-6-8-16-9-7-13/h12-13,16H,6-11H2,1-5H3
InChIKeyICPGQKYJVQSCER-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate

tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate (PubChem CID 157021829) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
PubChem CID157021829
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
SMILESCC(C)CN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)10-17(14(18)19-15(3,4)5)11-13-6-8-16-9-7-13/h12-13,16H,6-11H2,1-5H3
InChIKeyICPGQKYJVQSCER-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(cyclohexylmethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-4-ylmethyl)amino]butyl]carbamate
CID 139906636
tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate
CID 71629089
tert-butyl N-(2-methylpropyl)-N-(trimethylstannylmethyl)carbamate
CID 10904223
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-(2-cyanoethyl)-N-(pyrrolidin-3-ylmethyl)carbamate
CID 134211422
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(pyrrolidin-3-ylmethyl)carbamate
CID 130191685
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 79720897
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
tert-butyl N-(cyclobutylmethyl)-N-prop-2-ynylcarbamate
CID 132851274
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate (CID 157021829) is tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate is CC(C)CN(CC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate?
The InChIKey is ICPGQKYJVQSCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)10-17(14(18)19-15(3,4)5)11-13-6-8-16-9-7-13/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate?
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate is sourced from PubChem (CID 157021829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).