tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate

C15H30N2O2 — CID 105422427

IUPACtert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(C)(C)C)NC1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)12-8-7-11(9-16-12)10-17-13(18)19-15(4,5)6/h11-12,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyKUCWCUAETQJILR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate

tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate (PubChem CID 105422427) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
PubChem CID105422427
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(C)(C)C)NC1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)12-8-7-11(9-16-12)10-17-13(18)19-15(4,5)6/h11-12,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyKUCWCUAETQJILR-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
CID 99991642
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
CID 22106811
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate (CID 105422427) is tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(C)(C)C)NC1.
What is the InChIKey of tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate?
The InChIKey is KUCWCUAETQJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)12-8-7-11(9-16-12)10-17-13(18)19-15(4,5)6/h11-12,16H,7-10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate?
tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate is sourced from PubChem (CID 105422427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).