1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine

C20H32N2 — CID 68771179

IUPAC1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine
SMILESC=CCN1C(CC=C)(CC=C)CC(N)CC1(CC=C)CC=C
InChIInChI=1S/C20H32N2/c1-6-11-19(12-7-2)16-18(21)17-20(13-8-3,14-9-4)22(19)15-10-5/h6-10,18H,1-5,11-17,21H2
InChIKeyDAJUOIJCDCOSBI-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.38
Rot. Bonds10

About 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine

1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine (PubChem CID 68771179) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine
PubChem CID68771179
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine
SMILESC=CCN1C(CC=C)(CC=C)CC(N)CC1(CC=C)CC=C
InChIInChI=1S/C20H32N2/c1-6-11-19(12-7-2)16-18(21)17-20(13-8-3,14-9-4)22(19)15-10-5/h6-10,18H,1-5,11-17,21H2
InChIKeyDAJUOIJCDCOSBI-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.38
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 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine?
The IUPAC name of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine (CID 68771179) is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine?
The canonical SMILES for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine is C=CCN1C(CC=C)(CC=C)CC(N)CC1(CC=C)CC=C.
What is the InChIKey of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine?
The InChIKey is DAJUOIJCDCOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-11-19(12-7-2)16-18(21)17-20(13-8-3,14-9-4)22(19)15-10-5/h6-10,18H,1-5,11-17,21H2.
What are the key properties of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine?
1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine has a molecular weight of 300.49 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 68771179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).