1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine

C13H21N — CID 101011722

IUPAC1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
SMILESC1=CC(CCCN2CCCCC2)C=C1
InChIInChI=1S/C13H21N/c1-4-10-14(11-5-1)12-6-9-13-7-2-3-8-13/h2-3,7-8,13H,1,4-6,9-12H2
InChIKeyNWBXTOILDQOJPF-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine

1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine (PubChem CID 101011722) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine.

Molecular Properties

Compound Name1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
PubChem CID101011722
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
SMILESC1=CC(CCCN2CCCCC2)C=C1
InChIInChI=1S/C13H21N/c1-4-10-14(11-5-1)12-6-9-13-7-2-3-8-13/h2-3,7-8,13H,1,4-6,9-12H2
InChIKeyNWBXTOILDQOJPF-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
CID 138454485
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-(3-cyclohexylpropyl)piperidine
CID 21333467
2-piperidin-1-ylethyl 2-cyclohepta-2,4,6-trien-1-ylacetate;hydrochloride
CID 138401507
1-(4-chlorobutyl)azepane
CID 22568254
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
CID 141349469
1-octylazonane
CID 20533821
1-decylpiperidine
CID 4649960
1-dodecylazepane
CID 3366129
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine?
The IUPAC name of 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine (CID 101011722) is 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine.
What is the SMILES notation for 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine?
The canonical SMILES for 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine is C1=CC(CCCN2CCCCC2)C=C1.
What is the InChIKey of 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine?
The InChIKey is NWBXTOILDQOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-10-14(11-5-1)12-6-9-13-7-2-3-8-13/h2-3,7-8,13H,1,4-6,9-12H2.
What are the key properties of 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine?
1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine has a molecular weight of 191.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine is sourced from PubChem (CID 101011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).