carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride

C11H23ClN4O2 — CID 66718899

IUPACcarbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N4O2.ClH/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13;/h8H,4-7H2,1-3H3,(H4,12,13,14);1H
InChIKeyHYZASXQVPHIDOS-UHFFFAOYSA-N
MW278.78 g/mol
LogP-3.15
Rot. Bonds1

About carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride

carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride (PubChem CID 66718899) has the molecular formula C11H23ClN4O2 and a molecular weight of 278.78 g/mol. Its IUPAC name is carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride.

Molecular Properties

Compound Namecarbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride
PubChem CID66718899
Molecular FormulaC11H23ClN4O2
Molecular Weight278.78 g/mol
Exact Mass278.15
IUPAC Namecarbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N4O2.ClH/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13;/h8H,4-7H2,1-3H3,(H4,12,13,14);1H
InChIKeyHYZASXQVPHIDOS-UHFFFAOYSA-N
XLogP-3.15
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 5-3.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride
CID 19369399
Tert-butyl 4-(carbamoylamino)piperidine-1-carboxylate
CID 39870371
tert-butyl N-[(1-carbamimidoylpiperidin-4-yl)methyl]carbamate
CID 67673083
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-carbamimidoylpiperidin-3-yl)carbamate
CID 91991804
tert-butyl N-[(1-carbamimidoylpiperidin-3-yl)methyl]carbamate
CID 10106470
tert-Butyl (1-carbamoylpiperidin-4-yl)carbamate
CID 17804734
tert-Butyl 4-(3-methylureido)piperidine-1-carboxylate
CID 47252140
tert-Butyl 4-(3-ethylureido)piperidine-11-carboxylate
CID 47252141

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride?
The IUPAC name of carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride (CID 66718899) is carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride.
What is the SMILES notation for carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride?
The canonical SMILES for carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride is [Cl-].[H]/N=C(\N)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride?
The InChIKey is HYZASXQVPHIDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2.ClH/c1-11(2,3)17-10(16)15-6-4-8(5-7-15)14-9(12)13;/h8H,4-7H2,1-3H3,(H4,12,13,14);1H.
What are the key properties of carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride?
carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride has a molecular weight of 278.78 g/mol, XLogP of -3.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium chloride is sourced from PubChem (CID 66718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).