N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride

C11H20ClF2N5 — CID 160943640

IUPACN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5.ClH/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8;/h8H,1-7H2,(H4,14,15,16,17);1H
InChIKeySUVGBNZAELURHS-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.18
Rot. Bonds2

About N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride

N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride (PubChem CID 160943640) has the molecular formula C11H20ClF2N5 and a molecular weight of 295.77 g/mol. Its IUPAC name is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
PubChem CID160943640
Molecular FormulaC11H20ClF2N5
Molecular Weight295.77 g/mol
Exact Mass295.14
IUPAC NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5.ClH/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8;/h8H,1-7H2,(H4,14,15,16,17);1H
InChIKeySUVGBNZAELURHS-UHFFFAOYSA-N
XLogP1.18
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride (CID 160943640) is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride is Cl.NC(=N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The InChIKey is SUVGBNZAELURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5.ClH/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8;/h8H,1-7H2,(H4,14,15,16,17);1H.
What are the key properties of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 160943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).