1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide

C14H27N3 — CID 114191294

IUPAC1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCC2CCCC2)CC1
InChIInChI=1S/C14H27N3/c1-14(13(15)16)7-10-17(11-8-14)9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H3,15,16)
InChIKeyRHVMWRJVPLJYOV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds4

About 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide

1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide (PubChem CID 114191294) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
PubChem CID114191294
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCC2CCCC2)CC1
InChIInChI=1S/C14H27N3/c1-14(13(15)16)7-10-17(11-8-14)9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H3,15,16)
InChIKeyRHVMWRJVPLJYOV-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.60
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-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide (CID 114191294) is 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCC2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is RHVMWRJVPLJYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(13(15)16)7-10-17(11-8-14)9-6-12-4-2-3-5-12/h12H,2-11H2,1H3,(H3,15,16).
What are the key properties of 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide?
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 114191294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).