1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide

C14H27N3 — CID 64737969

IUPAC1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C14H27N3/c1-10-3-4-13(9-11(10)2)17-7-5-12(6-8-17)14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyLKRYMWSXGIZLTN-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.46
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide

1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide (PubChem CID 64737969) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide
PubChem CID64737969
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C14H27N3/c1-10-3-4-13(9-11(10)2)17-7-5-12(6-8-17)14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyLKRYMWSXGIZLTN-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide (CID 64737969) is 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(C2CCC(C)C(C)C2)CC1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide?
The InChIKey is LKRYMWSXGIZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-10-3-4-13(9-11(10)2)17-7-5-12(6-8-17)14(15)16/h10-13H,3-9H2,1-2H3,(H3,15,16).
What are the key properties of 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide?
1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide is sourced from PubChem (CID 64737969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).