1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide

C14H27N3O — CID 77054607

IUPAC1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCCC1CCC(N2CCCCC2C(N)=NO)CC1
InChIInChI=1S/C14H27N3O/c1-2-11-6-8-12(9-7-11)17-10-4-3-5-13(17)14(15)16-18/h11-13,18H,2-10H2,1H3,(H2,15,16)
InChIKeyAHLCYGLPVYVXDK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide

1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77054607) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77054607
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCCC1CCC(N2CCCCC2C(N)=NO)CC1
InChIInChI=1S/C14H27N3O/c1-2-11-6-8-12(9-7-11)17-10-4-3-5-13(17)14(15)16-18/h11-13,18H,2-10H2,1H3,(H2,15,16)
InChIKeyAHLCYGLPVYVXDK-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77054607) is 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide is CCC1CCC(N2CCCCC2C(N)=NO)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is AHLCYGLPVYVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-11-6-8-12(9-7-11)17-10-4-3-5-13(17)14(15)16-18/h11-13,18H,2-10H2,1H3,(H2,15,16).
What are the key properties of 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 253.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77054607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).