4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide

C9H19N5 — CID 142657807

IUPAC4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)CCC1CCN(/C(N)=N/[H])CC1
InChIInChI=1S/C9H19N5/c10-8(11)2-1-7-3-5-14(6-4-7)9(12)13/h7H,1-6H2,(H3,10,11)(H3,12,13)
InChIKeyJZPARDZWMGTNST-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.31
Rot. Bonds3

About 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide

4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide (PubChem CID 142657807) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
PubChem CID142657807
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)CCC1CCN(/C(N)=N/[H])CC1
InChIInChI=1S/C9H19N5/c10-8(11)2-1-7-3-5-14(6-4-7)9(12)13/h7H,1-6H2,(H3,10,11)(H3,12,13)
InChIKeyJZPARDZWMGTNST-UHFFFAOYSA-N
XLogP0.31
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
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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Related Compounds

4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
3-cyclopentylpropanimidamide
CID 83681795
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
4-[(methylideneamino)methyl]piperidine-1-carboximidamide
CID 58804643
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
4-(3-amino-3-iminopropyl)piperidine-1-carboxylic acid;tert-butyl acetate
CID 158672651
phenyl 3-(1-carbamimidoylpiperidin-4-yl)propanoate;hydrochloride
CID 70508389
[5-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyl]piperazine-1-carboxylate
CID 18397345
phenylmethoxycarbonyl 3-(1-carbamimidoylpiperidin-4-yl)propanoate
CID 88720114
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
(4-methylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate
CID 15583522
(4-cyanophenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate
CID 13188154

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide (CID 142657807) is 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide is [H]/N=C(\N)CCC1CCN(/C(N)=N/[H])CC1.
What is the InChIKey of 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide?
The InChIKey is JZPARDZWMGTNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c10-8(11)2-1-7-3-5-14(6-4-7)9(12)13/h7H,1-6H2,(H3,10,11)(H3,12,13).
What are the key properties of 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide?
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide has a molecular weight of 197.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 142657807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).