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

C11H20ClF2N5 — CID 176531044

IUPACN-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\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
LogP1.39
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 176531044) 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 CID176531044
Molecular FormulaC11H20ClF2N5
Molecular Weight295.77 g/mol
Exact Mass295.14
IUPAC NameN-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\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
XLogP1.39
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.39
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'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride (CID 176531044) 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.[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;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 1.39, 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;hydrochloride is sourced from PubChem (CID 176531044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).