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

C11H19F2N5 — CID 176520828

IUPACN-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5/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)
InChIKeyGSGDMMVROQIMJQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.97
Rot. Bonds2

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

N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 176520828) has the molecular formula C11H19F2N5 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
PubChem CID176520828
Molecular FormulaC11H19F2N5
Molecular Weight259.30 g/mol
Exact Mass259.16
IUPAC NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5/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)
InChIKeyGSGDMMVROQIMJQ-UHFFFAOYSA-N
XLogP0.97
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.97
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'}

Analyze N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 122656907
CID 122656908
CID 122656908
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
N'-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494479
CID 160943640
CID 160943640
N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 176520831
N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176526664
N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176531044
N-[N'-(3,3-difluorohexyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176531045
N'-cyclopropyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168702
N'-cyclopropyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536534
N-(diaminomethylidene)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 83035531

Frequently Asked Questions

What is the IUPAC name of N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide (CID 176520828) is N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide is [H]/N=C(\N/C(N)=N/CC1CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is GSGDMMVROQIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5/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).
What are the key properties of N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 259.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 176520828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).