tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate

C16H25N3O2 — CID 20801237

IUPACtert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-12-13-6-10-19(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,18,20)
InChIKeyNJRUSULBGRULMH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.82
Rot. Bonds3

About tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate (PubChem CID 20801237) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
PubChem CID20801237
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-12-13-6-10-19(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,18,20)
InChIKeyNJRUSULBGRULMH-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
tert-butyl N-[[1-(4-amino-3-hydroxyphenyl)piperidin-4-yl]methyl]carbamate
CID 164687599
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate
CID 59013933
tert-butyl N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-yl]methyl]carbamate
CID 139523978
tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
CID 86661351

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate (CID 20801237) is tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
The InChIKey is NJRUSULBGRULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-12-13-6-10-19(11-7-13)14-4-8-17-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 20801237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).