N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride

C10H18ClF2N5 — CID 176526664

IUPACN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N5.ClH/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7;/h7H,1-6H2,(H4,13,14,15,16);1H
InChIKeyCZMAYIFUXNHPIM-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.14
Rot. Bonds1

About N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride

N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride (PubChem CID 176526664) has the molecular formula C10H18ClF2N5 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
PubChem CID176526664
Molecular FormulaC10H18ClF2N5
Molecular Weight281.74 g/mol
Exact Mass281.12
IUPAC NameN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N5.ClH/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7;/h7H,1-6H2,(H4,13,14,15,16);1H
InChIKeyCZMAYIFUXNHPIM-UHFFFAOYSA-N
XLogP1.14
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride (CID 176526664) is N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The InChIKey is CZMAYIFUXNHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5.ClH/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7;/h7H,1-6H2,(H4,13,14,15,16);1H.
What are the key properties of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176526664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).