tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate

C19H37N3O2 — CID 139430473

IUPACtert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-18(2,3)22-13-9-16(10-14-22)21-11-7-15(8-12-21)20-17(23)24-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23)
InChIKeyFZYBKVCHHQIVMN-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 139430473) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
PubChem CID139430473
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Nametert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37N3O2/c1-18(2,3)22-13-9-16(10-14-22)21-11-7-15(8-12-21)20-17(23)24-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23)
InChIKeyFZYBKVCHHQIVMN-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
CID 126619796
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate (CID 139430473) is tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is FZYBKVCHHQIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-18(2,3)22-13-9-16(10-14-22)21-11-7-15(8-12-21)20-17(23)24-19(4,5)6/h15-16H,7-14H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 339.52 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 139430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).