2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

C20H39N3 — CID 155034811

IUPAC2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESC=C(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1(C)C
InChIInChI=1S/C20H39N3/c1-17(2)15-23-14-13-21(16-20(23,5)6)10-7-19-8-11-22(12-9-19)18(3)4/h18-19H,1,7-16H2,2-6H3
InChIKeyAVCNNBBSQONSDD-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.47
Rot. Bonds6

About 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (PubChem CID 155034811) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
PubChem CID155034811
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESC=C(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1(C)C
InChIInChI=1S/C20H39N3/c1-17(2)15-23-14-13-21(16-20(23,5)6)10-7-19-8-11-22(12-9-19)18(3)4/h18-19H,1,7-16H2,2-6H3
InChIKeyAVCNNBBSQONSDD-UHFFFAOYSA-N
XLogP3.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (CID 155034811) is 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is C=C(C)CN1CCN(CCC2CCN(C(C)C)CC2)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is AVCNNBBSQONSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(2)15-23-14-13-21(16-20(23,5)6)10-7-19-8-11-22(12-9-19)18(3)4/h18-19H,1,7-16H2,2-6H3.
What are the key properties of 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 321.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylprop-2-enyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 155034811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).