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

C16H21NO — CID 18070580

IUPAC4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(OC3CCCC3)cc2)CCNC1
InChIInChI=1S/C16H21NO/c1-2-4-15(3-1)18-16-7-5-13(6-8-16)14-9-11-17-12-10-14/h5-9,15,17H,1-4,10-12H2
InChIKeyKIMDERXBHBSKCE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.38
Rot. Bonds3

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

4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 18070580) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID18070580
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(OC3CCCC3)cc2)CCNC1
InChIInChI=1S/C16H21NO/c1-2-4-15(3-1)18-16-7-5-13(6-8-16)14-9-11-17-12-10-14/h5-9,15,17H,1-4,10-12H2
InChIKeyKIMDERXBHBSKCE-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine (CID 18070580) is 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine is C1=C(c2ccc(OC3CCCC3)cc2)CCNC1.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KIMDERXBHBSKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-4-15(3-1)18-16-7-5-13(6-8-16)14-9-11-17-12-10-14/h5-9,15,17H,1-4,10-12H2.
What are the key properties of 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine?
4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 243.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 18070580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).