4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine

C12H21NO — CID 114404626

IUPAC4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h5,11,13H,1-4,6-10H2
InChIKeyHVQSRQGCIJHSPK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine

4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404626) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404626
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCC2)CCNC1
InChIInChI=1S/C12H21NO/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h5,11,13H,1-4,6-10H2
InChIKeyHVQSRQGCIJHSPK-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404626) is 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COCC2CCCC2)CCNC1.
What is the InChIKey of 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HVQSRQGCIJHSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h5,11,13H,1-4,6-10H2.
What are the key properties of 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).