3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide

C14H20ClN3 — CID 63088065

IUPAC3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c1-2-10-5-7-18(8-6-10)13-4-3-11(14(16)17)9-12(13)15/h3-4,9-10H,2,5-8H2,1H3,(H3,16,17)
InChIKeyIBEKDMPUPAXLRP-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.25
Rot. Bonds3

About 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide

3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 63088065) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
PubChem CID63088065
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CC)CC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c1-2-10-5-7-18(8-6-10)13-4-3-11(14(16)17)9-12(13)15/h3-4,9-10H,2,5-8H2,1H3,(H3,16,17)
InChIKeyIBEKDMPUPAXLRP-UHFFFAOYSA-N
XLogP3.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
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

3-chloro-4-(4-methylpiperidin-1-yl)benzenecarboximidamide
CID 63088218
3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 63087893
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
3-chloro-4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667805
4-(azocan-1-yl)-3-chlorobenzenecarboximidamide
CID 63088884
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696027
3-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)benzenecarboximidamide
CID 63609196
3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 106669767
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 63089228
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide (CID 63088065) is 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(CC)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is IBEKDMPUPAXLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-10-5-7-18(8-6-10)13-4-3-11(14(16)17)9-12(13)15/h3-4,9-10H,2,5-8H2,1H3,(H3,16,17).
What are the key properties of 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide?
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 265.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63088065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).