1-cyclopentyl-4-methyl-3-methylidenepiperidine

C12H21N — CID 145118747

IUPAC1-cyclopentyl-4-methyl-3-methylidenepiperidine
SMILESC=C1CN(C2CCCC2)CCC1C
InChIInChI=1S/C12H21N/c1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h10,12H,2-9H2,1H3
InChIKeyRYWODDCMYXVTJX-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds1

About 1-cyclopentyl-4-methyl-3-methylidenepiperidine

1-cyclopentyl-4-methyl-3-methylidenepiperidine (PubChem CID 145118747) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-3-methylidenepiperidine
PubChem CID145118747
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclopentyl-4-methyl-3-methylidenepiperidine
SMILESC=C1CN(C2CCCC2)CCC1C
InChIInChI=1S/C12H21N/c1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h10,12H,2-9H2,1H3
InChIKeyRYWODDCMYXVTJX-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-3-methylidenepiperidine?
The IUPAC name of 1-cyclopentyl-4-methyl-3-methylidenepiperidine (CID 145118747) is 1-cyclopentyl-4-methyl-3-methylidenepiperidine.
What is the SMILES notation for 1-cyclopentyl-4-methyl-3-methylidenepiperidine?
The canonical SMILES for 1-cyclopentyl-4-methyl-3-methylidenepiperidine is C=C1CN(C2CCCC2)CCC1C.
What is the InChIKey of 1-cyclopentyl-4-methyl-3-methylidenepiperidine?
The InChIKey is RYWODDCMYXVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-7-8-13(9-11(10)2)12-5-3-4-6-12/h10,12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-methyl-3-methylidenepiperidine?
1-cyclopentyl-4-methyl-3-methylidenepiperidine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-3-methylidenepiperidine is sourced from PubChem (CID 145118747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).