tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate

C13H24N4O2 — CID 91603867

IUPACtert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2=NCCN2)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2,3)19-12(18)16-10-4-8-17(9-5-10)11-14-6-7-15-11/h10H,4-9H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyKLPRJEOPIVVEKA-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds1

About tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate (PubChem CID 91603867) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate
PubChem CID91603867
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nametert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2=NCCN2)CC1
InChIInChI=1S/C13H24N4O2/c1-13(2,3)19-12(18)16-10-4-8-17(9-5-10)11-14-6-7-15-11/h10H,4-9H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyKLPRJEOPIVVEKA-UHFFFAOYSA-N
XLogP0.93
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 46344059
tert-butyl 3-amino-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 75512886
tert-butyl (8aS)-3-(2-methylpropylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 97056179
Tert-butyl 3-methylimino-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxylate
CID 136248774
tert-butyl (3S,5S)-3-[(N,N'-dimethylcarbamimidoyl)amino]-5-fluoropiperidine-1-carboxylate
CID 167069667
tert-butyl (3S,5S)-3-[(N-ethyl-N'-methylcarbamimidoyl)amino]-5-fluoropiperidine-1-carboxylate
CID 167069688
tert-butyl (3S,5S)-3-fluoro-5-[(N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 167070975
tert-butyl (3S)-3-[[N-(1-fluoroethyl)-N,N'-dimethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 169877148
tert-butyl N-[1-[C-(1-amino-1-fluoroethyl)-N-ethylcarbonimidoyl]piperidin-4-yl]carbamate
CID 170121057
tert-butyl (3S,5S)-3-[[(2R)-2-ethyl-1,2-dihydro-1,3-diazet-4-yl]amino]-5-fluoropiperidine-1-carboxylate
CID 176963675
tert-butyl N-(1-carbamimidoylpiperidin-3-yl)carbamate
CID 91991804
tert-butyl N-[(3R)-4-methyl-1-[[[[(3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-piperidin-1-ylmethylidene]amino]pentan-3-yl]carbamate
CID 139254959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate (CID 91603867) is tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2=NCCN2)CC1.
What is the InChIKey of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate?
The InChIKey is KLPRJEOPIVVEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2,3)19-12(18)16-10-4-8-17(9-5-10)11-14-6-7-15-11/h10H,4-9H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 91603867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).