1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine

C21H38N2 — CID 19841524

IUPAC1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine
SMILESCC(C)=CN1CCC(CCCC2CCN(C=C(C)C)CC2)CC1
InChIInChI=1S/C21H38N2/c1-18(2)16-22-12-8-20(9-13-22)6-5-7-21-10-14-23(15-11-21)17-19(3)4/h16-17,20-21H,5-15H2,1-4H3
InChIKeyVJVUHBJRZFQGFB-UHFFFAOYSA-N
MW318.55 g/mol
LogP5.43
Rot. Bonds6

About 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine

1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine (PubChem CID 19841524) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine
PubChem CID19841524
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine
SMILESCC(C)=CN1CCC(CCCC2CCN(C=C(C)C)CC2)CC1
InChIInChI=1S/C21H38N2/c1-18(2)16-22-12-8-20(9-13-22)6-5-7-21-10-14-23(15-11-21)17-19(3)4/h16-17,20-21H,5-15H2,1-4H3
InChIKeyVJVUHBJRZFQGFB-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine?
The IUPAC name of 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine (CID 19841524) is 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine?
The canonical SMILES for 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine is CC(C)=CN1CCC(CCCC2CCN(C=C(C)C)CC2)CC1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine?
The InChIKey is VJVUHBJRZFQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-18(2)16-22-12-8-20(9-13-22)6-5-7-21-10-14-23(15-11-21)17-19(3)4/h16-17,20-21H,5-15H2,1-4H3.
What are the key properties of 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine?
1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine has a molecular weight of 318.55 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-4-[3-[1-(2-methylprop-1-enyl)piperidin-4-yl]propyl]piperidine is sourced from PubChem (CID 19841524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).